methyl 4-[(3-methylsulfanylphenyl)amino]-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate

Systemtic Name: methyl 4-[(3-methylsulfanylphenyl)amino]-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate Openeye Name: methyl 2-hydroxy-4-(3-methylsulfanylanilino)-4-oxo-2-(trifluoromethyl)butanoate CAS Name: 2-hydroxy-4-[3-(methylthio)anilino]-4-oxo-2-(trifluoromethyl)butanoic acid methyl ester IUPAC Name: methyl 2-hydroxy-4-(3-methylsulfanylanilino)-4-oxo-2-(trifluoromethyl)butanoate Traditional Name: 2-hydroxy-4-keto-4-[3-(methylthio)anilino]-2-(trifluoromethyl)butyric acid methyl ester Formula: C13H14F3NO4S MolecularWeight: 337.31477

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)NC1=CC(=CC=C1)SC)(C(F)(F)F)O

Isomeric SMILES

COC(=O)C(CC(=O)NC1=CC(=CC=C1)SC)(C(F)(F)F)O

InChI

InChI=1S/C13H14F3NO4S/c1-21-11(19)12(20,13(14,15)16)7-10(18)17-8-4-3-5-9(6-8)22-2/h3-6,20H,7H2,1-2H3,(H,17,18)