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

Systemtic Name: 3-[[2-[3-[(3-methoxyphenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-[[(3-methoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[[3-(m-anisoylamino)phenyl]thio]-2-phenyl-acetyl]amino]-4-methyl-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)C4=CC(=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H26N2O5S/c1-19-14-15-22(30(35)36)17-26(19)32-29(34)27(20-8-4-3-5-9-20)38-25-13-7-11-23(18-25)31-28(33)21-10-6-12-24(16-21)37-2/h3-18,27H,1-2H3,(H,31,33)(H,32,34)(H,35,36)