2-oxidanyl-5-[2-[3-(2-phenoxyethanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 2-oxidanyl-5-[2-[3-(2-phenoxyethanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 2-hydroxy-5-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 2-hydroxy-5-[[1-oxo-2-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 2-hydroxy-5-[2-[[3-[(2-phenoxyacetyl)amino]phenyl]thio]propanoylamino]benzoic acid Formula: C24H22N2O6S MolecularWeight: 466.50628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C24H22N2O6S/c1-15(23(29)26-17-10-11-21(27)20(13-17)24(30)31)33-19-9-5-6-16(12-19)25-22(28)14-32-18-7-3-2-4-8-18/h2-13,15,27H,14H2,1H3,(H,25,28)(H,26,29)(H,30,31)