4-(4-methoxyphenyl)butyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: 4-(4-methoxyphenyl)butyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 4-(4-methoxyphenyl)butyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 4-(4-methoxyphenyl)butyl ester IUPAC Name: 4-(4-methoxyphenyl)butyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 4-(4-methoxyphenyl)butyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCCOC(=O)N2CCC3=C(C2)SC(=C3C#N)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CCCCOC(=O)N2CCC3=C(C2)SC(=C3C#N)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4S/c1-33-21-12-10-19(11-13-21)7-5-6-16-34-27(32)30-15-14-22-23(17-28)26(35-24(22)18-30)29-25(31)20-8-3-2-4-9-20/h2-4,8-13H,5-7,14-16,18H2,1H3,(H,29,31)