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

Systemtic Name: [2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenyl-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-keto-1-phenyl-ethyl] ester Formula: C22H16ClF3N2O3S MolecularWeight: 480.88725

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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=C(C=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClF3N2O3S/c1-32-20-15(8-5-11-27-20)21(30)31-18(13-6-3-2-4-7-13)19(29)28-17-10-9-14(23)12-16(17)22(24,25)26/h2-12,18H,1H3,(H,28,29)