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

Systemtic Name: methyl 5-cyano-4-(2-methylphenyl)-2-oxidanylidene-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl 6-allylsulfanyl-5-cyano-4-(o-tolyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 5-cyano-4-(2-methylphenyl)-2-oxo-6-(prop-2-enylthio)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-4-(2-methylphenyl)-2-oxo-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 6-(allylthio)-5-cyano-2-keto-4-(o-tolyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC=C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC=C)C(=O)OC

InChI

InChI=1S/C18H18N2O3S/c1-4-9-24-17-13(10-19)14(12-8-6-5-7-11(12)2)15(16(21)20-17)18(22)23-3/h4-8,14-15H,1,9H2,2-3H3,(H,20,21)