[2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H17FN2O3S MolecularWeight: 396.434683

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H17FN2O3S/c1-28-20-17(8-5-13-23-20)21(26)27-18(14-6-3-2-4-7-14)19(25)24-16-11-9-15(22)10-12-16/h2-13,18H,1H3,(H,24,25)