[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-(trifluoromethyl)benzoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-(trifluoromethyl)benzoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 2-amino-4-(trifluoromethyl)benzoate CAS Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 2-amino-4-(trifluoromethyl)benzoate Traditional Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C17H15F3N2O3S MolecularWeight: 384.37281

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)C2=C(C=C(C=C2)C(F)(F)F)N

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)C2=C(C=C(C=C2)C(F)(F)F)N

InChI

InChI=1S/C17H15F3N2O3S/c1-26-14-5-3-2-4-13(14)22-15(23)9-25-16(24)11-7-6-10(8-12(11)21)17(18,19)20/h2-8H,9,21H2,1H3,(H,22,23)