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

Systemtic Name: ethyl 4-(2-chlorophenyl)-5-cyano-6-(ethoxycarbonylsulfanylmethyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-5-cyano-6-(ethoxycarbonylsulfanylmethyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 4-(2-chlorophenyl)-5-cyano-6-[(ethoxycarbonylthio)methyl]-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-5-cyano-6-(ethoxycarbonylsulfanylmethyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 6-[(carbethoxythio)methyl]-4-(2-chlorophenyl)-5-cyano-2-keto-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(NC1=O)CSC(=O)OCC)C#N)C2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)C1C(C(=C(NC1=O)CSC(=O)OCC)C#N)C2=CC=CC=C2Cl

InChI

InChI=1S/C19H19ClN2O5S/c1-3-26-18(24)16-15(11-7-5-6-8-13(11)20)12(9-21)14(22-17(16)23)10-28-19(25)27-4-2/h5-8,15-16H,3-4,10H2,1-2H3,(H,22,23)