[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-keto-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C21H21F3N2O4S MolecularWeight: 454.46265

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=CC=CC(=C1)C(F)(F)F)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NC1=CC=CC(=C1)C(F)(F)F)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H21F3N2O4S/c1-31-11-10-17(26-19(28)14-6-3-2-4-7-14)20(29)30-13-18(27)25-16-9-5-8-15(12-16)21(22,23)24/h2-9,12,17H,10-11,13H2,1H3,(H,25,27)(H,26,28)