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

Systemtic Name: 4-chloranyl-3-[2-[4-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-[4-[(4-hydroxy-4-oxo-butanoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-[[4-[(4-hydroxy-1,4-dioxobutyl)amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[4-[(4-hydroxy-4-oxobutanoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[[4-[(4-hydroxy-4-keto-butanoyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C19H17ClN2O6S MolecularWeight: 436.86608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O6S/c20-14-6-1-11(19(27)28)9-15(14)22-17(24)10-29-13-4-2-12(3-5-13)21-16(23)7-8-18(25)26/h1-6,9H,7-8,10H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)