2-[[4-(trifluoromethylsulfanyl)phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-(trifluoromethylsulfanyl)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]acetic acid CAS Name: 2-[[oxo-[4-(trifluoromethylthio)phenyl]methyl]amino]acetic acid IUPAC Name: 2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]acetic acid Traditional Name: 2-[[4-(trifluoromethylthio)benzoyl]amino]acetic acid Formula: C10H8F3NO3S MolecularWeight: 279.23563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC(=O)O)SC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC(=O)O)SC(F)(F)F

InChI

InChI=1S/C10H8F3NO3S/c11-10(12,13)18-7-3-1-6(2-4-7)9(17)14-5-8(15)16/h1-4H,5H2,(H,14,17)(H,15,16)