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

Systemtic Name: ethyl 6-butylsulfanyl-5-cyano-4-(2-ethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: ethyl 6-butylsulfanyl-5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 6-(butylthio)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-butylsulfanyl-5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 6-(butylthio)-5-cyano-2-keto-4-o-phenetyl-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(C(C(=O)N1)C(=O)OCC)C2=CC=CC=C2OCC)C#N

Isomeric SMILES

CCCCSC1=C(C(C(C(=O)N1)C(=O)OCC)C2=CC=CC=C2OCC)C#N

InChI

InChI=1S/C21H26N2O4S/c1-4-7-12-28-20-15(13-22)17(14-10-8-9-11-16(14)26-5-2)18(19(24)23-20)21(25)27-6-3/h8-11,17-18H,4-7,12H2,1-3H3,(H,23,24)