71055351 -OEChem-05082401132D 48 51 0 0 0 0 0 0 0999 V2000 10.1720 -2.7047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8370 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 -3.0898 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2529 -1.1810 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1159 -0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4076 3.0898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6721 -0.5140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5990 -2.0550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6721 -0.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0486 -1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2955 -1.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2711 -2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0730 -2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0581 -0.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2891 -1.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1060 0.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5185 -2.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 -2.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2861 -0.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8256 -2.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3346 -1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6445 -1.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9088 -2.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5426 1.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1032 0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0551 -1.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8233 -2.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9765 2.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5371 1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 -2.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9737 2.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4031 0.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9271 -0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6635 -3.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0680 -3.1150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4170 -0.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9295 -1.2059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1518 -1.3803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6806 -3.5938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6239 -2.9845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4016 -2.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7346 -2.6599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9244 1.1669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4524 -0.0506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6468 -1.4911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2761 -3.1151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6273 2.6264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1553 1.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 30 1 0 0 0 0 3 30 1 0 0 0 0 4 30 1 0 0 0 0 5 21 2 0 0 0 0 6 31 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 32 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 42 1 0 0 0 0 9 11 1 0 0 0 0 9 16 2 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 19 2 0 0 0 0 12 17 1 0 0 0 0 13 20 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 18 1 0 0 0 0 15 21 1 0 0 0 0 16 24 1 0 0 0 0 16 25 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 26 1 0 0 0 0 19 36 1 0 0 0 0 20 27 1 0 0 0 0 20 39 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 30 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 28 2 0 0 0 0 24 43 1 0 0 0 0 25 29 2 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 28 31 1 0 0 0 0 28 47 1 0 0 0 0 29 31 1 0 0 0 0 29 48 1 0 0 0 0 M END > 71055351 > 1 > 787 > 7 > 2 > 3 > AAADceB7MYBAAAAAAAAAAAAAAAAAAAAAAAAwYIAABYAAAAABQAAAHwQQAAAADAzB2BQwwYLAAAiIAqVSUACCAAAlChAIiJ0IZMgIIDLglZGEIQhglgDoyYcciACOEAAAQAAEAQAgAACAAAgCAAAAAAAAAA== > 6-(4-oxocyclohexa-2,5-dien-1-ylidene)-N-(3,3,3-trifluoropropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > 6-(4-oxo-1-cyclohexa-2,5-dienylidene)-N-(3,3,3-trifluoropropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > 6-(4-oxocyclohexa-2,5-dien-1-ylidene)-N-(3,3,3-trifluoropropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > 6-(4-oxocyclohexa-2,5-dien-1-ylidene)-N-(3,3,3-trifluoropropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > 6-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-N-[3,3,3-tris(fluoranyl)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > 6-(4-ketocyclohexa-2,5-dien-1-ylidene)-N-(3,3,3-trifluoropropyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide > InChI=1S/C23H17F3N2O2S/c24-23(25,26)11-12-27-22(30)15-7-10-20-18(13-15)28-21(14-5-8-16(29)9-6-14)17-3-1-2-4-19(17)31-20/h1-10,13,28H,11-12H2,(H,27,30) > QJEMICCMFOZMEG-UHFFFAOYSA-N > 4.9 > 442.09628345 > C23H17F3N2O2S > 442.5 > C1=CC=C2C(=C1)C(=C3C=CC(=O)C=C3)NC4=C(S2)C=CC(=C4)C(=O)NCCC(F)(F)F > C1=CC=C2C(=C1)C(=C3C=CC(=O)C=C3)NC4=C(S2)C=CC(=C4)C(=O)NCCC(F)(F)F > 83.5 > 442.09628345 > 0 > 31 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 8 10 14 8 11 13 8 11 19 8 12 17 8 13 20 8 14 15 8 15 18 8 17 18 8 19 26 8 20 27 8 26 27 8 $$$$