2471 Marvin 12300703363D 45 46 0 0 0 0 999 V2000 3.1597 2.0848 -0.2334 S 0 0 1 0 0 0 0 0 0 0 0 0 1.2449 -0.2257 0.1126 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7913 3.5314 -0.4269 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6811 1.1709 -1.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9113 5.5811 0.3576 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5467 4.7027 -0.5257 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.2173 -0.4048 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7717 1.4547 1.1581 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6048 -0.8650 -1.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -2.1926 -1.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7357 0.8964 -0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6725 0.8781 -0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4111 2.0845 -0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7002 -2.7812 -2.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4119 2.1315 -0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7112 3.3590 -0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7038 3.3061 -0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4735 -4.1153 -2.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4676 -0.6918 1.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3956 4.5677 -0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1745 -1.9098 1.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0721 -0.0539 2.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4925 -2.4605 2.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3881 -0.5946 3.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1035 -1.7998 3.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1418 -0.1853 -2.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6276 -1.0749 -2.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8119 -2.9130 -0.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3352 -2.0206 -1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9023 -0.5384 0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7624 -2.9367 -3.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2905 -2.0583 -3.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4363 2.1229 -0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2376 4.1785 -0.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6584 -4.4450 -3.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8984 -4.8895 -2.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4363 -3.9992 -2.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6023 1.0252 1.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2946 1.5371 1.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4716 -2.4057 0.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5518 0.8261 2.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0093 -3.3399 2.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 -0.1072 4.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3388 -2.1920 4.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1079 5.5743 0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 5 20 1 0 0 0 0 5 45 1 0 0 0 0 6 20 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 30 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 14 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 M END > 11 12 8 11 15 8 12 13 8 13 17 8 15 16 8 16 17 8 19 21 8 19 22 8 21 23 8 22 24 8 23 25 8 24 25 8 > InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23) > MAEIEVLCKWDQJH-UHFFFAOYSA-N > 1/1/N:18,14,10,25,23,24,21,22,9,15,17,16,19,11,13,12,20,8,7,5,6,3,4,2,1/E:(5,6)(7,8)(20,21)(22,23)/CRV:25.6/rA:45nSOOOOONNCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHH/rB:;d1;d1;;;;s1;s7;s9;s7;s2d11;s1s12;s10;s11;d15;d13s16;s14;s2;s5d6s16;d19;s19;s21;d22;d23s24;s9;s9;s10;s10;s7;s14;s14;s15;s17;s18;s18;s18;s8;s8;s21;s22;s23;s24;s25;s5;/rC:3.1597,2.0848,-.2334;1.2449,-.2257,.1126;3.7913,3.5314,-.4269;3.6811,1.1709,-1.426;-.9113,5.5811,.3576;-2.5467,4.7027,-.5257;-1.4458,-.2173,-.4048;3.7717,1.4547,1.1581;-1.6048,-.865,-1.6282;-2.394,-2.1926,-1.5378;-.7357,.8964,-.2923;.6725,.8781,-.1704;1.4111,2.0845,-.2211;-2.7002,-2.7812,-2.9405;-1.4119,2.1315,-.2813;-.7112,3.359,-.2172;.7038,3.3061,-.2337;-3.4735,-4.1153,-2.927;1.4676,-.6918,1.2891;-1.3956,4.5677,-.1353;2.1745,-1.9098,1.3886;1.0721,-.0539,2.4962;2.4925,-2.4605,2.6459;1.3881,-.5946,3.7525;2.1035,-1.7998,3.8265;-2.1418,-.1853,-2.2973;-.6276,-1.0749,-2.0745;-1.8119,-2.913,-.9558;-3.3352,-2.0206,-1.0081;-1.9023,-.5384,.3464;-1.7624,-2.9367,-3.4812;-3.2905,-2.0583,-3.5109;-2.4363,2.1229,-.3064;1.2376,4.1785,-.2458;-3.6584,-4.445,-3.9515;-2.8984,-4.8895,-2.4163;-4.4363,-3.9992,-2.4262;4.6023,1.0252,1.1522;3.2946,1.5371,1.9576;2.4716,-2.4057,.5441;.5518,.8261,2.4798;3.0093,-3.3399,2.7066;1.0992,-.1072,4.6042;2.3388,-2.192,4.7404;-.1079,5.5743,.7173; > C17 H20 N2 O5 S > 364.4161 > S(C1=C([H])C(C(=O)O[H])=C([H])C(=C1OC1C([H])=C([H])C([H])=C([H])C=1[H])N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])(N([H])[H])(=O)=O > 2377 $$$$