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

Systemtic Name: 4-methyl-3-[[2-[3-(2-phenoxyethanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 4-methyl-3-[[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 4-methyl-3-[[1-oxo-2-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[2-[[3-[(2-phenoxyacetyl)amino]phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid Formula: C30H26N2O5S MolecularWeight: 526.60284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C30H26N2O5S/c1-20-15-16-22(30(35)36)17-26(20)32-29(34)28(21-9-4-2-5-10-21)38-25-14-8-11-23(18-25)31-27(33)19-37-24-12-6-3-7-13-24/h2-18,28H,19H2,1H3,(H,31,33)(H,32,34)(H,35,36)