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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C2=CC=CC=C2NC(=O)C(C)C3=CC=C(C=C3)C(=O)C4=CC=CS4)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1C2=CC=CC=C2NC(=O)C(C)C3=CC=C(C=C3)C(=O)C4=CC=CS4)C(=O)O

InChI

InChI=1S/C28H23NO4S/c1-17-7-5-9-22(28(32)33)25(17)21-8-3-4-10-23(21)29-27(31)18(2)19-12-14-20(15-13-19)26(30)24-11-6-16-34-24/h3-16,18H,1-2H3,(H,29,31)(H,32,33)