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

Systemtic Name: 3-[[2-(trifluoromethylsulfanyl)phenyl]carbonylamino]butanoic acid Openeye Name: 3-[[2-(trifluoromethylsulfanyl)benzoyl]amino]butanoic acid CAS Name: 3-[[oxo-[2-(trifluoromethylthio)phenyl]methyl]amino]butanoic acid IUPAC Name: 3-[[2-(trifluoromethylsulfanyl)benzoyl]amino]butanoic acid Traditional Name: 3-[[2-(trifluoromethylthio)benzoyl]amino]butyric acid Formula: C12H12F3NO3S MolecularWeight: 307.28879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3NO3S/c1-7(6-10(17)18)16-11(19)8-4-2-3-5-9(8)20-12(13,14)15/h2-5,7H,6H2,1H3,(H,16,19)(H,17,18)