ethyl 2-(2,5-dimethylpyrrol-1-yl)-4-[4-(phenylmethyl)phenyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2,5-dimethylpyrrol-1-yl)-4-[4-(phenylmethyl)phenyl]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-benzylphenyl)-2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-4-[4-(phenylmethyl)phenyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylphenyl)-2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate Traditional Name: 4-(4-benzylphenyl)-2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylic acid ethyl ester Formula: C26H25NO2S MolecularWeight: 415.5472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)CC3=CC=CC=C3)N4C(=CC=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)CC3=CC=CC=C3)N4C(=CC=C4C)C

InChI

InChI=1S/C26H25NO2S/c1-4-29-26(28)24-23(17-30-25(24)27-18(2)10-11-19(27)3)22-14-12-21(13-15-22)16-20-8-6-5-7-9-20/h5-15,17H,4,16H2,1-3H3