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

Systemtic Name: methyl 5-cyano-6-[(3-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl 5-cyano-6-[(3-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 5-cyano-6-[(3-fluorophenyl)methylthio]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-[(3-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 5-cyano-6-[(3-fluorobenzyl)thio]-2-keto-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C22H19FN2O4S MolecularWeight: 426.460663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC3=CC(=CC=C3)F)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC3=CC(=CC=C3)F)C(=O)OC

InChI

InChI=1S/C22H19FN2O4S/c1-28-16-8-6-14(7-9-16)18-17(11-24)21(25-20(26)19(18)22(27)29-2)30-12-13-4-3-5-15(23)10-13/h3-10,18-19H,12H2,1-2H3,(H,25,26)