2-oxidanyl-5-[2-[4-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 2-oxidanyl-5-[2-[4-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 2-hydroxy-5-[[2-[4-[(4-hydroxy-4-oxo-butanoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[2-[[4-[(4-hydroxy-1,4-dioxobutyl)amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[2-[4-[(4-hydroxy-4-oxobutanoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[2-[[4-[(4-hydroxy-4-keto-butanoyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C19H18N2O7S MolecularWeight: 418.42042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O7S/c22-15-6-3-12(9-14(15)19(27)28)21-17(24)10-29-13-4-1-11(2-5-13)20-16(23)7-8-18(25)26/h1-6,9,22H,7-8,10H2,(H,20,23)(H,21,24)(H,25,26)(H,27,28)