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

Systemtic Name: 4-methyl-3-[2-[4-(2-phenoxyethanoylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-methyl-3-[[2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-methyl-3-[[1-oxo-2-[[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[2-[[4-[(2-phenoxyacetyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C24H22N2O5S MolecularWeight: 450.50688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3

InChI

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