azanium 2-[[3-(2-sulfanylethanoylamino)phenyl]carbonylamino]ethanoate

Systemtic Name: azanium 2-[[3-(2-sulfanylethanoylamino)phenyl]carbonylamino]ethanoate Openeye Name: ammonium 2-[[3-[(2-sulfanylacetyl)amino]benzoyl]amino]acetate CAS Name: ammonium 2-[[[3-[(2-mercapto-1-oxoethyl)amino]phenyl]-oxomethyl]amino]acetate IUPAC Name: azanium 2-[[3-[(2-sulfanylacetyl)amino]benzoyl]amino]acetate Traditional Name: ammonium 2-[[3-[(2-mercaptoacetyl)amino]benzoyl]amino]acetate Formula: C11H15N3O4S MolecularWeight: 285.3195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CS)C(=O)NCC(=O)[O-].[NH4+]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CS)C(=O)NCC(=O)[O-].[NH4+]

InChI

InChI=1S/C11H12N2O4S.H3N/c14-9(6-18)13-8-3-1-2-7(4-8)11(17)12-5-10(15)16;/h1-4,18H,5-6H2,(H,12,17)(H,13,14)(H,15,16);1H3