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

Systemtic Name: 4-[2-[3-(2-phenoxyethanoylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 4-[[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[3-[(2-phenoxyacetyl)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)OCC(=O)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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