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

Systemtic Name: 3-methyl-2-[[2-(trifluoromethylsulfanyl)phenyl]carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-(trifluoromethylsulfanyl)benzoyl]amino]butanoic acid CAS Name: 3-methyl-2-[[oxo-[2-(trifluoromethylthio)phenyl]methyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(trifluoromethylsulfanyl)benzoyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[2-(trifluoromethylthio)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=C1SC(F)(F)F

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=CC=CC=C1SC(F)(F)F

InChI

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