methyl (3R)-4-(4-chlorophenyl)-5-cyano-2-oxidanylidene-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: methyl (3R)-4-(4-chlorophenyl)-5-cyano-2-oxidanylidene-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl (3R)-6-allylsulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3R)-4-(4-chlorophenyl)-5-cyano-2-oxo-6-(prop-2-enylthio)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-4-(4-chlorophenyl)-5-cyano-2-oxo-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3R)-6-(allylthio)-4-(4-chlorophenyl)-5-cyano-2-keto-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C17H15ClN2O3S MolecularWeight: 362.8306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=C(NC1=O)SCC=C)C#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)[C@@H]1C(C(=C(NC1=O)SCC=C)C#N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H15ClN2O3S/c1-3-8-24-16-12(9-19)13(10-4-6-11(18)7-5-10)14(15(21)20-16)17(22)23-2/h3-7,13-14H,1,8H2,2H3,(H,20,21)/t13?,14-/m1/s1