ethyl (3S,4R)-5-cyano-2-oxidanylidene-6-(phenylmethylsulfanyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: ethyl (3S,4R)-5-cyano-2-oxidanylidene-6-(phenylmethylsulfanyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: ethyl (3S,4R)-6-benzylsulfanyl-5-cyano-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3S,4R)-5-cyano-2-oxo-6-(phenylmethylthio)-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-6-benzylsulfanyl-5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3S,4R)-6-(benzylthio)-5-cyano-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC=CS3

InChI

InChI=1S/C20H18N2O3S2/c1-2-25-20(24)17-16(15-9-6-10-26-15)14(11-21)19(22-18(17)23)27-12-13-7-4-3-5-8-13/h3-10,16-17H,2,12H2,1H3,(H,22,23)/t16-,17+/m1/s1