ethyl 2-[2-(azepan-1-yl)ethanoylamino]-3-[(3-chlorophenyl)carbamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: ethyl 2-[2-(azepan-1-yl)ethanoylamino]-3-[(3-chlorophenyl)carbamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: ethyl 2-[[2-(azepan-1-yl)acetyl]amino]-3-[(3-chlorophenyl)carbamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 2-[[2-(1-azepanyl)-1-oxoethyl]amino]-3-[(3-chloroanilino)-oxomethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(azepan-1-yl)acetyl]amino]-3-[(3-chlorophenyl)carbamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-[[2-(azepan-1-yl)acetyl]amino]-3-[(3-chlorophenyl)carbamoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Formula: C25H31ClN4O4S MolecularWeight: 519.05604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)NC3=CC(=CC=C3)Cl)NC(=O)CN4CCCCCC4

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)NC3=CC(=CC=C3)Cl)NC(=O)CN4CCCCCC4

InChI

InChI=1S/C25H31ClN4O4S/c1-2-34-25(33)30-13-10-19-20(15-30)35-24(28-21(31)16-29-11-5-3-4-6-12-29)22(19)23(32)27-18-9-7-8-17(26)14-18/h7-9,14H,2-6,10-13,15-16H2,1H3,(H,27,32)(H,28,31)