4-[[4-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[2-(4-iodoanilino)-2-oxo-ethyl]sulfanylanilino]-4-oxo-butanoic acid CAS Name: 4-[4-[[2-(4-iodoanilino)-2-oxoethyl]thio]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[2-(4-iodoanilino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid Traditional Name: 4-[4-[[2-(4-iodoanilino)-2-keto-ethyl]thio]anilino]-4-keto-butyric acid Formula: C18H17IN2O4S MolecularWeight: 484.30805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCC(=O)O)SCC(=O)NC2=CC=C(C=C2)I

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCC(=O)O)SCC(=O)NC2=CC=C(C=C2)I

InChI

InChI=1S/C18H17IN2O4S/c19-12-1-3-13(4-2-12)21-17(23)11-26-15-7-5-14(6-8-15)20-16(22)9-10-18(24)25/h1-8H,9-11H2,(H,20,22)(H,21,23)(H,24,25)