4-[2-[[2-[(4-carboxyphenyl)amino]-2-oxidanylidene-ethyl]disulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[[2-[(4-carboxyphenyl)amino]-2-oxidanylidene-ethyl]disulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[[2-(4-carboxyanilino)-2-oxo-ethyl]disulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[[2-(4-carboxyanilino)-2-oxoethyl]disulfanyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[[2-(4-carboxyanilino)-2-oxoethyl]disulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[[2-(4-carboxyanilino)-2-keto-ethyl]disulfanyl]acetyl]amino]benzoic acid Formula: C18H16N2O6S2 MolecularWeight: 420.45944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CSSCC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CSSCC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H16N2O6S2/c21-15(19-13-5-1-11(2-6-13)17(23)24)9-27-28-10-16(22)20-14-7-3-12(4-8-14)18(25)26/h1-8H,9-10H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26)