4-[2-[[2-[(4-carboxylatophenyl)amino]-2-oxidanylidene-ethyl]disulfanyl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[[2-[(4-carboxylatophenyl)amino]-2-oxidanylidene-ethyl]disulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[[2-(4-carboxylatoanilino)-2-oxo-ethyl]disulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[2-(4-carboxylatoanilino)-2-oxoethyl]disulfanyl]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[[2-(4-carboxylatoanilino)-2-oxoethyl]disulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[2-(4-carboxylatoanilino)-2-keto-ethyl]disulfanyl]acetyl]amino]benzoate Formula: C18H14N2O6S2-2 MolecularWeight: 418.44356

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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)/p-2