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

Systemtic Name: 3-[[2-(trifluoromethylsulfanyl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(trifluoromethylsulfanyl)benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[2-(trifluoromethylthio)phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[2-(trifluoromethylsulfanyl)benzoyl]amino]propanoic acid Traditional Name: 3-[[2-(trifluoromethylthio)benzoyl]amino]propionic acid Formula: C11H10F3NO3S MolecularWeight: 293.26221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10F3NO3S/c12-11(13,14)19-8-4-2-1-3-7(8)10(18)15-6-5-9(16)17/h1-4H,5-6H2,(H,15,18)(H,16,17)