ethyl 6-butylsulfanyl-5-cyano-4-(2-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 6-butylsulfanyl-5-cyano-4-(2-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: ethyl 6-butylsulfanyl-5-cyano-4-(o-tolyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 6-(butylthio)-5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-butylsulfanyl-5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 6-(butylthio)-5-cyano-2-keto-4-(o-tolyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(C(C(=O)N1)C(=O)OCC)C2=CC=CC=C2C)C#N

Isomeric SMILES

CCCCSC1=C(C(C(C(=O)N1)C(=O)OCC)C2=CC=CC=C2C)C#N

InChI

InChI=1S/C20H24N2O3S/c1-4-6-11-26-19-15(12-21)16(14-10-8-7-9-13(14)3)17(18(23)22-19)20(24)25-5-2/h7-10,16-17H,4-6,11H2,1-3H3,(H,22,23)