methyl 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylamino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylamino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-benzyl-2-[(4-indolin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-oxomethyl]amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-benzyl-2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-benzyl-2-[(4-indolin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C31H29N3O5S2 MolecularWeight: 587.70906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C65

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCC6=CC=CC=C65

InChI

InChI=1S/C31H29N3O5S2/c1-39-31(36)28-25-16-17-33(19-21-7-3-2-4-8-21)20-27(25)40-30(28)32-29(35)23-11-13-24(14-12-23)41(37,38)34-18-15-22-9-5-6-10-26(22)34/h2-14H,15-20H2,1H3,(H,32,35)