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

Systemtic Name: 3-[2-[4-(2-phenoxyethanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[1-oxo-2-[[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 3-[2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[[4-[(2-phenoxyacetyl)amino]phenyl]thio]propanoylamino]benzoic acid Formula: C24H22N2O5S MolecularWeight: 450.50688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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