2-oxidanyl-5-[2-[4-(2-phenoxyethanoylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 2-oxidanyl-5-[2-[4-(2-phenoxyethanoylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 2-hydroxy-5-[[2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[1-oxo-2-[[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[2-[[4-[(2-phenoxyacetyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C23H20N2O6S/c26-20-11-8-16(12-19(20)23(29)30)25-22(28)14-32-18-9-6-15(7-10-18)24-21(27)13-31-17-4-2-1-3-5-17/h1-12,26H,13-14H2,(H,24,27)(H,25,28)(H,29,30)