methyl 6-ethanoyl-2-(3-phenylsulfanylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 6-ethanoyl-2-(3-phenylsulfanylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-acetyl-2-(3-phenylsulfanylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-acetyl-2-[[1-oxo-3-(phenylthio)propyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-acetyl-2-(3-phenylsulfanylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-acetyl-2-[3-(phenylthio)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S2/c1-13(23)22-10-8-15-16(12-22)28-19(18(15)20(25)26-2)21-17(24)9-11-27-14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3,(H,21,24)