2-(2-phenylethanoylamino)-4-(4-propan-2-ylphenyl)thiophene-3-carboxylic acid

Systemtic Name: 2-(2-phenylethanoylamino)-4-(4-propan-2-ylphenyl)thiophene-3-carboxylic acid Openeye Name: 4-(4-isopropylphenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxylic acid CAS Name: 2-[(1-oxo-2-phenylethyl)amino]-4-(4-propan-2-ylphenyl)-3-thiophenecarboxylic acid IUPAC Name: 2-[(2-phenylacetyl)amino]-4-(4-propan-2-ylphenyl)thiophene-3-carboxylic acid Traditional Name: 4-p-cumenyl-2-[(2-phenylacetyl)amino]-3-thenoic acid Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H21NO3S/c1-14(2)16-8-10-17(11-9-16)18-13-27-21(20(18)22(25)26)23-19(24)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,23,24)(H,25,26)