4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]benzoic acid CAS Name: 4-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]benzoic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CCSCC(=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CCSCC(=O)N

InChI

InChI=1S/C12H14N2O4S/c13-10(15)7-19-6-5-11(16)14-9-3-1-8(2-4-9)12(17)18/h1-4H,5-7H2,(H2,13,15)(H,14,16)(H,17,18)