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

Systemtic Name: 3-oxidanyl-2-[[2-(trifluoromethylsulfanyl)phenyl]carbonylamino]butanoic acid Openeye Name: 3-hydroxy-2-[[2-(trifluoromethylsulfanyl)benzoyl]amino]butanoic acid CAS Name: 3-hydroxy-2-[[oxo-[2-(trifluoromethylthio)phenyl]methyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[[2-(trifluoromethylsulfanyl)benzoyl]amino]butanoic acid Traditional Name: 3-hydroxy-2-[[2-(trifluoromethylthio)benzoyl]amino]butyric acid Formula: C12H12F3NO4S MolecularWeight: 323.28819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3NO4S/c1-6(17)9(11(19)20)16-10(18)7-4-2-3-5-8(7)21-12(13,14)15/h2-6,9,17H,1H3,(H,16,18)(H,19,20)