ethyl 4-(4-tert-butylphenyl)-2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-tert-butylphenyl)-2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-tert-butylphenyl)-2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate CAS Name: 4-(4-tert-butylphenyl)-2-(2,5-dimethyl-1-pyrrolyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-tert-butylphenyl)-2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate Traditional Name: 4-(4-tert-butylphenyl)-2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid ethyl ester Formula: C23H27NO2S MolecularWeight: 381.53098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)(C)C)N3C(=CC=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)(C)C)N3C(=CC=C3C)C

InChI

InChI=1S/C23H27NO2S/c1-7-26-22(25)20-19(17-10-12-18(13-11-17)23(4,5)6)14-27-21(20)24-15(2)8-9-16(24)3/h8-14H,7H2,1-6H3