3-methyl-3-sulfanyl-2-[[2-(trifluoromethyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 3-methyl-3-sulfanyl-2-[[2-(trifluoromethyl)phenyl]carbonylamino]butanoic acid Openeye Name: 3-methyl-3-sulfanyl-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid CAS Name: 3-mercapto-3-methyl-2-[[oxo-[2-(trifluoromethyl)phenyl]methyl]amino]butanoic acid IUPAC Name: 3-methyl-3-sulfanyl-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid Traditional Name: 3-mercapto-3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]butyric acid Formula: C13H14F3NO3S MolecularWeight: 321.31537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC(=O)C1=CC=CC=C1C(F)(F)F)S

Isomeric SMILES

CC(C)(C(C(=O)O)NC(=O)C1=CC=CC=C1C(F)(F)F)S

InChI

InChI=1S/C13H14F3NO3S/c1-12(2,21)9(11(19)20)17-10(18)7-5-3-4-6-8(7)13(14,15)16/h3-6,9,21H,1-2H3,(H,17,18)(H,19,20)