5-[2-[4-[(2-carboxyphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[4-[(2-carboxyphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[4-[(2-carboxybenzoyl)amino]phenyl]sulfanylpropanoylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[4-[[(2-carboxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[4-[(2-carboxybenzoyl)amino]phenyl]sulfanylpropanoylamino]-2-hydroxybenzoic acid Traditional Name: 5-[2-[[4-[(2-carboxybenzoyl)amino]phenyl]thio]propanoylamino]-2-hydroxy-benzoic acid Formula: C24H20N2O7S MolecularWeight: 480.4898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C24H20N2O7S/c1-13(21(28)26-15-8-11-20(27)19(12-15)24(32)33)34-16-9-6-14(7-10-16)25-22(29)17-4-2-3-5-18(17)23(30)31/h2-13,27H,1H3,(H,25,29)(H,26,28)(H,30,31)(H,32,33)