ethyl (3R,4R)-3-cyano-6-methyl-4-(4-methylsulfanylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate

Systemtic Name: ethyl (3R,4R)-3-cyano-6-methyl-4-(4-methylsulfanylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: ethyl (3R,4R)-3-cyano-6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: (3R,4R)-3-cyano-6-methyl-4-[4-(methylthio)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R)-3-cyano-6-methyl-4-(4-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: (3R,4R)-3-cyano-2-keto-6-methyl-4-[4-(methylthio)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylic acid ethyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)C(C1C2=CC=C(C=C2)SC)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)[C@H]([C@@H]1C2=CC=C(C=C2)SC)C#N)C

InChI

InChI=1S/C17H18N2O3S/c1-4-22-17(21)14-10(2)19-16(20)13(9-18)15(14)11-5-7-12(23-3)8-6-11/h5-8,13,15H,4H2,1-3H3,(H,19,20)/t13-,15-/m0/s1