3-[2-[4-(2-phenoxyethanoylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-[4-(2-phenoxyethanoylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 3-[[2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[4-[(2-phenoxyacetyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C23H20N2O5S MolecularWeight: 436.4803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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