3-methyl-2-[[4-(trifluoromethylsulfanyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[4-(trifluoromethylsulfanyl)phenyl]carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]butanoic acid CAS Name: 3-methyl-2-[[oxo-[4-(trifluoromethylthio)phenyl]methyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[4-(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=C(C=C1)SC(F)(F)F

Isomeric SMILES

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

InChI

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