null CDK 0225161901 null 34 35 0 0 0 0 0 0 0 0999 V2000 -0.1881 -1.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5965 -1.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -0.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5526 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7242 0.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5088 0.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7637 1.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2788 2.0869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5887 1.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0736 2.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8941 2.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3790 2.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1995 2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5351 1.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0502 1.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2297 1.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3556 1.7419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6911 0.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5116 0.9020 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2062 0.3208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6844 3.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5049 3.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8437 0.6348 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 -0.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4617 -1.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7473 -1.5001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8907 -1.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8907 -1.9126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6052 -0.6751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3196 -1.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0341 -0.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7486 -1.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4630 -0.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 4 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 9 23 1 0 0 0 0 24 23 1 4 0 0 0 24 6 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 3 0 0 0 0 25 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 M END > CHEBI:116401 > 2-cyano-2-[5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-3-(3-methoxypropyl)-4-oxo-2-thiazolidinylidene]-N-(2-methoxyethyl)acetamide > 2 > C22H25F2N3O6S > 497.514 > 497.14321 > 0 > COCCCN1C(=O)C(=CC2=CC(=C(C=C2)OC(F)F)OC)SC1=C(C#N)C(=O)NCCOC > InChI=1S/C22H25F2N3O6S/c1-30-9-4-8-27-20(29)18(34-21(27)15(13-25)19(28)26-7-10-31-2)12-14-5-6-16(33-22(23)24)17(11-14)32-3/h5-6,11-12,22H,4,7-10H2,1-3H3,(H,26,28) > SFCAECFGEDOCOT-UHFFFAOYSA-N > LSM-27855 $$$$