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

Systemtic Name: ethyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(2-fluorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: ethyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 6-[(4-chlorophenyl)methylthio]-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 6-[(4-chlorobenzyl)thio]-5-cyano-4-(2-fluorophenyl)-2-keto-3,4-dihydro-1H-pyridine-3-carboxylic acid ethyl ester Formula: C22H18ClFN2O3S MolecularWeight: 444.906323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(NC1=O)SCC2=CC=C(C=C2)Cl)C#N)C3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1C(C(=C(NC1=O)SCC2=CC=C(C=C2)Cl)C#N)C3=CC=CC=C3F

InChI

InChI=1S/C22H18ClFN2O3S/c1-2-29-22(28)19-18(15-5-3-4-6-17(15)24)16(11-25)21(26-20(19)27)30-12-13-7-9-14(23)10-8-13/h3-10,18-19H,2,12H2,1H3,(H,26,27)