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

Systemtic Name: methyl 3-cyano-2-(3-phenylsulfanylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: methyl 3-cyano-2-(3-phenylsulfanylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 3-cyano-2-[[1-oxo-3-(phenylthio)propyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid methyl ester IUPAC Name: methyl 3-cyano-2-(3-phenylsulfanylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 3-cyano-2-[3-(phenylthio)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid methyl ester Formula: C19H19N3O3S2 MolecularWeight: 401.50246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

COC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O3S2/c1-25-19(24)22-9-7-14-15(11-20)18(27-16(14)12-22)21-17(23)8-10-26-13-5-3-2-4-6-13/h2-6H,7-10,12H2,1H3,(H,21,23)