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

Systemtic Name: 2-oxidanyl-5-[2-[4-(2-phenylethanoylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 2-hydroxy-5-[[2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[1-oxo-2-[[4-[(1-oxo-2-phenylethyl)amino]phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[2-[[4-[(2-phenylacetyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O5S/c26-20-11-8-17(13-19(20)23(29)30)25-22(28)14-31-18-9-6-16(7-10-18)24-21(27)12-15-4-2-1-3-5-15/h1-11,13,26H,12,14H2,(H,24,27)(H,25,28)(H,29,30)