2-[(3-methylphenyl)carbonylamino]-4-(4-propan-2-ylphenyl)thiophene-3-carboxylic acid

Systemtic Name: 2-[(3-methylphenyl)carbonylamino]-4-(4-propan-2-ylphenyl)thiophene-3-carboxylic acid Openeye Name: 4-(4-isopropylphenyl)-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]-4-(4-propan-2-ylphenyl)-3-thiophenecarboxylic acid IUPAC Name: 2-[(3-methylbenzoyl)amino]-4-(4-propan-2-ylphenyl)thiophene-3-carboxylic acid Traditional Name: 2-(m-toluoylamino)-4-p-cumenyl-3-thenoic acid Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C(C)C)C(=O)O

InChI

InChI=1S/C22H21NO3S/c1-13(2)15-7-9-16(10-8-15)18-12-27-21(19(18)22(25)26)23-20(24)17-6-4-5-14(3)11-17/h4-13H,1-3H3,(H,23,24)(H,25,26)