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

Systemtic Name: methyl 6-ethanoyl-2-(4-phenylsulfanylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-acetyl-2-(4-phenylsulfanylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-acetyl-2-[[1-oxo-4-(phenylthio)butyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-acetyl-2-(4-phenylsulfanylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-acetyl-2-[4-(phenylthio)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4S2/c1-14(24)23-11-10-16-17(13-23)29-20(19(16)21(26)27-2)22-18(25)9-6-12-28-15-7-4-3-5-8-15/h3-5,7-8H,6,9-13H2,1-2H3,(H,22,25)