3-[[2-[4-(2-phenoxyethanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-[4-(2-phenoxyethanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 3-[[2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-[[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]-2-phenylethyl]amino]benzoic acid IUPAC Name: 3-[[2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[4-[(2-phenoxyacetyl)amino]phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid Formula: C29H24N2O5S MolecularWeight: 512.57626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=CC(=C2)C(=O)O)SC3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=CC(=C2)C(=O)O)SC3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C29H24N2O5S/c32-26(19-36-24-12-5-2-6-13-24)30-22-14-16-25(17-15-22)37-27(20-8-3-1-4-9-20)28(33)31-23-11-7-10-21(18-23)29(34)35/h1-18,27H,19H2,(H,30,32)(H,31,33)(H,34,35)