2-azanyl-3-oxidanylidene-3-[[2-sulfanyl-4-(trifluoromethyl)phenyl]amino]propanoic acid

Systemtic Name: 2-azanyl-3-oxidanylidene-3-[[2-sulfanyl-4-(trifluoromethyl)phenyl]amino]propanoic acid Openeye Name: 2-amino-3-oxo-3-[2-sulfanyl-4-(trifluoromethyl)anilino]propanoic acid CAS Name: 2-amino-3-[2-mercapto-4-(trifluoromethyl)anilino]-3-oxopropanoic acid IUPAC Name: 2-amino-3-oxo-3-[2-sulfanyl-4-(trifluoromethyl)anilino]propanoic acid Traditional Name: 2-amino-3-keto-3-[2-mercapto-4-(trifluoromethyl)anilino]propionic acid Formula: C10H9F3N2O3S MolecularWeight: 294.25027

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)S)NC(=O)C(C(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)S)NC(=O)C(C(=O)O)N

InChI

InChI=1S/C10H9F3N2O3S/c11-10(12,13)4-1-2-5(6(19)3-4)15-8(16)7(14)9(17)18/h1-3,7,19H,14H2,(H,15,16)(H,17,18)