[3-(trifluoromethyl)phenyl]methyl 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [3-(trifluoromethyl)benzyl] ester Formula: C20H20F3NO3S MolecularWeight: 411.43791

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC(=CC=C1)C(F)(F)F)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCC1=CC(=CC=C1)C(F)(F)F)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H20F3NO3S/c1-28-11-10-17(24-18(25)15-7-3-2-4-8-15)19(26)27-13-14-6-5-9-16(12-14)20(21,22)23/h2-9,12,17H,10-11,13H2,1H3,(H,24,25)