2375 Marvin 12300703363D 43 44 0 0 1 0 999 V2000 -1.9137 1.3697 3.2731 S 0 0 2 0 0 0 0 0 0 0 0 0 1.1497 6.3746 2.9857 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7191 -1.5312 -5.9238 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0455 -2.8950 -5.9114 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 -3.6525 -6.3226 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6074 1.3726 0.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8682 0.8936 4.7903 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4548 1.5547 2.9266 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4688 -1.5761 0.9752 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0051 -1.1059 -1.1128 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5033 -5.6672 -4.4789 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0963 0.0915 0.7421 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1695 0.0333 2.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5255 -0.0489 0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -0.9103 0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9898 2.8444 3.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -2.0291 -1.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4236 2.8293 3.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6596 4.0834 3.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6886 -1.9921 -3.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1537 4.0289 3.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9322 5.2853 3.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4912 -3.0620 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3912 -2.9168 -4.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4752 5.2599 3.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1621 -3.9242 -3.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2052 -3.9891 -1.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2661 -2.7649 -5.5233 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8702 -4.8448 -3.9895 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6677 -0.8906 2.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1635 -0.0261 2.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9863 -0.9939 0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5181 -0.0075 -0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1787 0.7607 0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 -0.4952 -1.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3068 1.4419 0.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9477 1.9545 3.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 4.1270 3.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1299 -1.2589 -3.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1765 4.0002 3.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4337 6.1750 3.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5796 -3.1983 -0.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7455 -4.6999 -1.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 13 1 0 0 0 0 1 16 1 0 0 0 0 2 25 1 0 0 0 0 3 28 1 0 0 0 0 4 28 1 0 0 0 0 5 28 1 0 0 0 0 6 12 1 0 0 0 0 6 36 1 0 0 0 0 9 15 2 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 35 1 0 0 0 0 11 29 3 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 23 1 0 0 0 0 18 21 1 0 0 0 0 18 37 1 0 0 0 0 19 22 2 0 0 0 0 19 38 1 0 0 0 0 20 24 1 0 0 0 0 20 39 1 0 0 0 0 21 25 2 0 0 0 0 21 40 1 0 0 0 0 22 25 1 0 0 0 0 22 41 1 0 0 0 0 23 27 2 0 0 0 0 23 42 1 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 43 1 0 0 0 0 M END > 12 14 3 16 18 8 16 19 8 17 20 8 17 23 8 18 21 8 19 22 8 20 24 8 21 25 8 22 25 8 23 27 8 24 26 8 26 27 8 > InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m1/s1 > LKJPYSCBVHEWIU-QGZVFWFLSA-N > 1/1/N:14,27,21,22,23,18,19,20,29,13,26,25,17,16,24,15,12,28,2,3,4,5,11,10,9,6,7,8,1/E:(3,4)(6,7)(20,21,22)(27,28)/it:im/CRV:29.6/rA:43cSFFFFOOOONNCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHH/rB:;;;;;d1;d1;;;;s6;s1s12;s12;d9s10s12;s1;s10;d16;s16;d17;s18;d19;s17;s20;s2d21s22;d24;d23s26;s3s4s5s24;t11s26;s13;s13;s14;s14;s14;s10;s6;s18;s19;s20;s21;s22;s23;s27;/rC:-1.9137,1.3697,3.2731;1.1497,6.3746,2.9857;1.7191,-1.5312,-5.9238;-.0455,-2.895,-5.9114;1.946,-3.6525,-6.3226;-.6074,1.3726,.337;-1.8682,.8936,4.7903;-3.4548,1.5547,2.9266;.4688,-1.5761,.9752;.0051,-1.1059,-1.1128;3.5033,-5.6672,-4.4789;-1.0963,.0915,.7421;-1.1695,.0333,2.3139;-2.5255,-.0489,.1411;-.174,-.9103,.1752;-.9898,2.8444,3.1918;.714,-2.0291,-1.7972;.4236,2.8293,3.1954;-1.6596,4.0834,3.1301;.6886,-1.9921,-3.2133;1.1537,4.0289,3.1166;-.9322,5.2853,3.0621;1.4912,-3.062,-1.22;1.3912,-2.9168,-4.0389;.4752,5.2599,3.0521;2.1621,-3.9242,-3.3905;2.2052,-3.9891,-1.9849;1.2661,-2.7649,-5.5233;2.8702,-4.8448,-3.9895;-1.6677,-.8906,2.6176;-.1635,-.0261,2.7318;-2.9863,-.9939,.4374;-2.5181,-.0075,-.9499;-3.1787,.7607,.469;-.454,-.4952,-1.6548;.3068,1.4419,.6842;.9477,1.9545,3.2548;-2.681,4.127,3.1359;.1299,-1.2589,-3.6627;2.1765,4.0002,3.1079;-1.4337,6.175,3.0201;1.5796,-3.1983,-.2171;2.7455,-4.6999,-1.4756; > C18 H14 F4 N2 O4 S > 430.3734 > S(C1C([H])=C([H])C(=C([H])C=1[H])F)(C([H])([H])[C@@](C(N([H])C1C([H])=C([H])C(C#N)=C(C(F)(F)F)C=1[H])=O)(C([H])([H])[H])O[H])(=O)=O > 2284 $$$$