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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3NO3S/c1-2-8(11(18)19)16-10(17)7-5-3-4-6-9(7)20-12(13,14)15/h3-6,8H,2H2,1H3,(H,16,17)(H,18,19)