[2-(2-fluorophenyl)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-(2-fluorophenyl)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-(2-fluorophenyl)-2-oxo-ethyl] 2-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid [2-(2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-fluorophenyl)-2-oxoethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-(p-tolylthio)nicotinic acid [2-(2-fluorophenyl)-2-keto-ethyl] ester Formula: C21H16FNO3S MolecularWeight: 381.420043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H16FNO3S/c1-14-8-10-15(11-9-14)27-20-17(6-4-12-23-20)21(25)26-13-19(24)16-5-2-3-7-18(16)22/h2-12H,13H2,1H3