3-(2,5-dimethylpyrrol-1-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid

Systemtic Name: 3-(2,5-dimethylpyrrol-1-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid Openeye Name: 3-(2,5-dimethylpyrrol-1-yl)-5-tetralin-6-yl-thiophene-2-carboxylic acid CAS Name: 3-(2,5-dimethyl-1-pyrrolyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-thiophenecarboxylic acid IUPAC Name: 3-(2,5-dimethylpyrrol-1-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid Traditional Name: 3-(2,5-dimethylpyrrol-1-yl)-5-tetralin-6-yl-2-thenoic acid Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(SC(=C2)C3=CC4=C(CCCC4)C=C3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(N1C2=C(SC(=C2)C3=CC4=C(CCCC4)C=C3)C(=O)O)C

InChI

InChI=1S/C21H21NO2S/c1-13-7-8-14(2)22(13)18-12-19(25-20(18)21(23)24)17-10-9-15-5-3-4-6-16(15)11-17/h7-12H,3-6H2,1-2H3,(H,23,24)