methyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(4-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: methyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(4-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-oxo-4-(p-tolyl)-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 6-[(4-chlorophenyl)methylthio]-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 6-[(4-chlorobenzyl)thio]-5-cyano-2-keto-4-(p-tolyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C22H19ClN2O3S MolecularWeight: 426.91586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C22H19ClN2O3S/c1-13-3-7-15(8-4-13)18-17(11-24)21(25-20(26)19(18)22(27)28-2)29-12-14-5-9-16(23)10-6-14/h3-10,18-19H,12H2,1-2H3,(H,25,26)