60835 Marvin 12310715543D 40 42 0 0 1 0 999 V2000 3.9296 -1.0017 -0.8930 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 0.2305 -0.6081 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -1.5590 2.4196 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6961 -0.0699 0.5426 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6558 -0.2955 1.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3699 -1.4299 1.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7138 -1.1410 0.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5363 1.3408 -1.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 1.4265 -1.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4406 2.7071 -1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8878 -2.3165 1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3208 2.5163 -1.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6667 0.2895 -1.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6294 3.8611 -1.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7508 3.7625 -1.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 2.8183 -1.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9418 -3.1076 0.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6136 -2.5156 -0.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4888 -2.5504 2.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0615 0.4011 -1.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6521 1.6711 -1.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 0.7808 0.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1021 0.6364 1.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -0.4884 2.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1258 -2.3938 1.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8353 -1.2354 0.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 -2.6004 1.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 -0.6531 2.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3227 2.4801 -0.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2692 -0.6493 -1.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0297 4.7861 -1.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3354 4.6005 -1.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2923 3.7304 -1.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1932 -4.0060 1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4339 -2.9314 -0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2503 -2.5969 2.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9765 -2.2708 1.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0528 -3.5454 1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6451 -0.4384 -1.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6682 1.7572 -1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 18 1 0 0 0 0 4 2 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 19 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 10 16 2 0 0 0 0 11 17 1 0 0 0 0 11 27 1 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 13 20 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 21 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 M END > 1 18 8 1 7 8 10 14 8 10 16 8 11 17 8 12 15 8 13 20 8 14 15 8 16 21 8 17 18 8 4 2 6 20 21 8 7 11 8 8 12 8 8 9 8 9 10 8 9 13 8 > InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 > ZEUITGRIYCTCEM-KRWDZBQOSA-N > 1/0/N:19,21,20,15,17,16,14,13,12,11,5,6,18,10,9,8,4,7,3,2,1/it:im/rA:40cSONCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHH/rB:;;s2;s4;s3s5;s1s4;s2;s8;s9;d7;d8;d9;s10;s12d14;d10;s11;s1d17;s3;s13;s16d20;s4;s5;s5;s6;s6;s11;s3;s12;s13;s14;s15;s16;s17;s18;s19;s19;s19;s20;s21;/rC:3.9296,-1.0017,-.893;1.0361,.2305,-.6081;-1.459,-1.559,2.4196;1.6961,-.0699,.5426;.6558,-.2955,1.6903;-.3699,-1.4299,1.4319;2.7138,-1.141,.3408;.5363,1.3408,-1.0263;-.837,1.4265,-1.3941;-1.4406,2.7071,-1.594;2.8878,-2.3165,1.0825;1.3208,2.5163,-1.0663;-1.6667,.2895,-1.5438;-.6294,3.8611,-1.6086;.7508,3.7625,-1.3756;-2.841,2.8183,-1.7614;3.9418,-3.1076,.6539;4.6136,-2.5156,-.4037;-2.4888,-2.5504,2.0371;-3.0615,.4011,-1.6738;-3.6521,1.6711,-1.7608;2.306,.7808,.8651;.1021,.6364,1.8399;1.174,-.4884,2.6333;.1258,-2.3938,1.3359;-.8353,-1.2354,.4797;2.321,-2.6004,1.8811;-1.931,-.6531,2.4651;2.3227,2.4801,-.8665;-1.2692,-.6493,-1.5651;-1.0297,4.7861,-1.7901;1.3354,4.6005,-1.4143;-3.2923,3.7304,-1.8731;4.1932,-4.006,1.0725;5.4339,-2.9314,-.8471;-3.2503,-2.5969,2.8137;-2.9765,-2.2708,1.0996;-2.0528,-3.5454,1.923;-3.6451,-.4384,-1.7053;-4.6682,1.7572,-1.837; > C18 H19 N O S > 297.4146 > S1C([H])=C([H])C([H])=C1[C@]([H])(C([H])([H])C([H])([H])[N@@]([H])C([H])([H])[H])OC1=C([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12 > 54822 $$$$