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

Systemtic Name: 3-[2-[3-(2-phenoxyethanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[1-oxo-2-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 3-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[[3-[(2-phenoxyacetyl)amino]phenyl]thio]propanoylamino]benzoic acid Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O5S/c1-16(23(28)26-18-8-5-7-17(13-18)24(29)30)32-21-12-6-9-19(14-21)25-22(27)15-31-20-10-3-2-4-11-20/h2-14,16H,15H2,1H3,(H,25,27)(H,26,28)(H,29,30)