3-(2-sulfanylethanoylamino)benzoic acid

Systemtic Name: 3-(2-sulfanylethanoylamino)benzoic acid Openeye Name: 3-[(2-sulfanylacetyl)amino]benzoic acid CAS Name: 3-[(2-mercapto-1-oxoethyl)amino]benzoic acid IUPAC Name: 3-[(2-sulfanylacetyl)amino]benzoic acid Traditional Name: 3-[(2-mercaptoacetyl)amino]benzoic acid Formula: C9H9NO3S MolecularWeight: 211.23766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CS)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CS)C(=O)O

InChI

InChI=1S/C9H9NO3S/c11-8(5-14)10-7-3-1-2-6(4-7)9(12)13/h1-4,14H,5H2,(H,10,11)(H,12,13)