5-fluoranyl-2-(2-propan-2-ylsulfanylethanoylamino)benzoic acid

Systemtic Name: 5-fluoranyl-2-(2-propan-2-ylsulfanylethanoylamino)benzoic acid Openeye Name: 5-fluoro-2-[(2-isopropylsulfanylacetyl)amino]benzoic acid CAS Name: 5-fluoro-2-[[1-oxo-2-(propan-2-ylthio)ethyl]amino]benzoic acid IUPAC Name: 5-fluoro-2-[(2-propan-2-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 5-fluoro-2-[[2-(isopropylthio)acetyl]amino]benzoic acid Formula: C12H14FNO3S MolecularWeight: 271.307863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)NC1=C(C=C(C=C1)F)C(=O)O

Isomeric SMILES

CC(C)SCC(=O)NC1=C(C=C(C=C1)F)C(=O)O

InChI

InChI=1S/C12H14FNO3S/c1-7(2)18-6-11(15)14-10-4-3-8(13)5-9(10)12(16)17/h3-5,7H,6H2,1-2H3,(H,14,15)(H,16,17)