2-methyl-3-phenyl-4-(propanoylamino)-5-(4-thiophen-2-ylcarbonylphenyl)benzoic acid

Systemtic Name: 2-methyl-3-phenyl-4-(propanoylamino)-5-(4-thiophen-2-ylcarbonylphenyl)benzoic acid Openeye Name: 2-methyl-3-phenyl-4-(propanoylamino)-5-[4-(thiophene-2-carbonyl)phenyl]benzoic acid CAS Name: 2-methyl-4-(1-oxopropylamino)-5-[4-[oxo(thiophen-2-yl)methyl]phenyl]-3-phenylbenzoic acid IUPAC Name: 2-methyl-3-phenyl-4-(propanoylamino)-5-[4-(thiophene-2-carbonyl)phenyl]benzoic acid Traditional Name: 2-methyl-3-phenyl-4-propionamido-5-[4-(2-thenoyl)phenyl]benzoic acid Formula: C28H23NO4S MolecularWeight: 469.55152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=C(C=C1C2=CC=C(C=C2)C(=O)C3=CC=CS3)C(=O)O)C)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)NC1=C(C(=C(C=C1C2=CC=C(C=C2)C(=O)C3=CC=CS3)C(=O)O)C)C4=CC=CC=C4

InChI

InChI=1S/C28H23NO4S/c1-3-24(30)29-26-22(18-11-13-20(14-12-18)27(31)23-10-7-15-34-23)16-21(28(32)33)17(2)25(26)19-8-5-4-6-9-19/h4-16H,3H2,1-2H3,(H,29,30)(H,32,33)