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

Systemtic Name: ethyl 2-(4-phenylsulfanylbutanoylamino)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 2-(4-phenylsulfanylbutanoylamino)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[1-oxo-4-(phenylthio)butyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-phenylsulfanylbutanoylamino)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-[4-(phenylthio)butanoylamino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C23H30N2O3S2 MolecularWeight: 446.6259

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CCCN1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O3S2/c1-3-13-25-14-12-18-19(16-25)30-22(21(18)23(27)28-4-2)24-20(26)11-8-15-29-17-9-6-5-7-10-17/h5-7,9-10H,3-4,8,11-16H2,1-2H3,(H,24,26)