3-[2-[4-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-[4-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-[(4-hydroxy-4-oxo-butanoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[[4-[(4-hydroxy-1,4-dioxobutyl)amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[4-[(4-hydroxy-4-oxobutanoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[4-[(4-hydroxy-4-keto-butanoyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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