2-chloranyl-5-[[2-[3-(2-phenoxyethanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid

Systemtic Name: 2-chloranyl-5-[[2-[3-(2-phenoxyethanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 2-chloro-5-[[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[1-oxo-2-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]-2-phenylethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[[3-[(2-phenoxyacetyl)amino]phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid Formula: C29H23ClN2O5S MolecularWeight: 547.02132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H23ClN2O5S/c30-25-15-14-21(17-24(25)29(35)36)32-28(34)27(19-8-3-1-4-9-19)38-23-13-7-10-20(16-23)31-26(33)18-37-22-11-5-2-6-12-22/h1-17,27H,18H2,(H,31,33)(H,32,34)(H,35,36)