[2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-keto-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C20H16F3N3O3S MolecularWeight: 435.41955

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(F)(F)F)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(F)(F)F)C#N

InChI

InChI=1S/C20H16F3N3O3S/c1-30-18-15(9-24)14(8-16(26-18)11-2-3-11)19(28)29-10-17(27)25-13-6-4-12(5-7-13)20(21,22)23/h4-8,11H,2-3,10H2,1H3,(H,25,27)