4-[2-[4-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-[4-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[4-[(4-hydroxy-4-oxo-butanoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[[4-[(4-hydroxy-1,4-dioxobutyl)amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[4-[(4-hydroxy-4-oxobutanoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[4-[(4-hydroxy-4-keto-butanoyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C19H18N2O6S MolecularWeight: 402.42102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C19H18N2O6S/c22-16(9-10-18(24)25)20-14-5-7-15(8-6-14)28-11-17(23)21-13-3-1-12(2-4-13)19(26)27/h1-8H,9-11H2,(H,20,22)(H,21,23)(H,24,25)(H,26,27)