3-(2,5-dimethylpyrrol-1-yl)-5-(4-propan-2-ylphenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-(2,5-dimethylpyrrol-1-yl)-5-(4-propan-2-ylphenyl)thiophene-2-carboxylic acid Openeye Name: 3-(2,5-dimethylpyrrol-1-yl)-5-(4-isopropylphenyl)thiophene-2-carboxylic acid CAS Name: 3-(2,5-dimethyl-1-pyrrolyl)-5-(4-propan-2-ylphenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-(2,5-dimethylpyrrol-1-yl)-5-(4-propan-2-ylphenyl)thiophene-2-carboxylic acid Traditional Name: 3-(2,5-dimethylpyrrol-1-yl)-5-p-cumenyl-2-thenoic acid Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(SC(=C2)C3=CC=C(C=C3)C(C)C)C(=O)O)C

Isomeric SMILES

CC1=CC=C(N1C2=C(SC(=C2)C3=CC=C(C=C3)C(C)C)C(=O)O)C

InChI

InChI=1S/C20H21NO2S/c1-12(2)15-7-9-16(10-8-15)18-11-17(19(24-18)20(22)23)21-13(3)5-6-14(21)4/h5-12H,1-4H3,(H,22,23)