(4-cyanophenyl) 2-heptylthieno[2,3-b]thiophene-5-carboxylate

Systemtic Name: (4-cyanophenyl) 2-heptylthieno[2,3-b]thiophene-5-carboxylate Openeye Name: (4-cyanophenyl) 2-heptylthieno[2,3-b]thiophene-5-carboxylate CAS Name: 2-heptyl-5-thieno[2,3-b]thiophenecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-heptylthieno[2,3-b]thiophene-5-carboxylate Traditional Name: 2-heptylthieno[2,3-b]thiophene-5-carboxylic acid (4-cyanophenyl) ester Formula: C21H21NO2S2 MolecularWeight: 383.52694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=C(S1)SC(=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCC1=CC2=C(S1)SC(=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21NO2S2/c1-2-3-4-5-6-7-18-12-16-13-19(26-21(16)25-18)20(23)24-17-10-8-15(14-22)9-11-17/h8-13H,2-7H2,1H3