null CDK 0225161908 null 36 39 0 0 0 0 0 0 0 0999 V2000 4.9279 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 1.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 -0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 2.3479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 2.1904 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 0.0709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8659 0.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8659 2.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6909 2.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1034 2.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6909 3.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8659 3.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 2.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1034 4.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6909 5.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -1.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -2.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -3.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -3.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -3.8396 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 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 11 12 1 0 0 0 0 9 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 8 1 0 0 0 0 15 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 7 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 30 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 M END > CHEBI:120528 > ethyl 3-amino-2-(4-methoxybenzoyl)-4-(4-methoxycarbonylphenyl)-6-methyl-4,5-dihydrothieno[2,3-b]pyridine-5-carboxylate > 2 > C27H26N2O6S > 506.572 > 506.15116 > 0 > CCOC(=O)C1C(C2=C(N=C1C)SC(=C2N)C(=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(=O)OC > InChI=1S/C27H26N2O6S/c1-5-35-27(32)19-14(2)29-25-21(20(19)15-6-8-17(9-7-15)26(31)34-4)22(28)24(36-25)23(30)16-10-12-18(33-3)13-11-16/h6-13,19-20H,5,28H2,1-4H3 > UCKYDVRVPRFLCP-UHFFFAOYSA-N > LSM-31971 $$$$