[2-(4-ethyl-2-fluoranyl-phenyl)phenyl] 2-pentylthieno[2,3-b]thiophene-5-carboxylate

Systemtic Name: [2-(4-ethyl-2-fluoranyl-phenyl)phenyl] 2-pentylthieno[2,3-b]thiophene-5-carboxylate Openeye Name: [2-(4-ethyl-2-fluoro-phenyl)phenyl] 2-pentylthieno[2,3-b]thiophene-5-carboxylate CAS Name: 2-pentyl-5-thieno[2,3-b]thiophenecarboxylic acid [2-(4-ethyl-2-fluorophenyl)phenyl] ester IUPAC Name: [2-(4-ethyl-2-fluorophenyl)phenyl] 2-pentylthieno[2,3-b]thiophene-5-carboxylate Traditional Name: 2-amylthieno[2,3-b]thiophene-5-carboxylic acid [2-(4-ethyl-2-fluoro-phenyl)phenyl] ester Formula: C26H25FO2S2 MolecularWeight: 452.603903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(S1)SC(=C2)C(=O)OC3=CC=CC=C3C4=C(C=C(C=C4)CC)F

Isomeric SMILES

CCCCCC1=CC2=C(S1)SC(=C2)C(=O)OC3=CC=CC=C3C4=C(C=C(C=C4)CC)F

InChI

InChI=1S/C26H25FO2S2/c1-3-5-6-9-19-15-18-16-24(31-26(18)30-19)25(28)29-23-11-8-7-10-21(23)20-13-12-17(4-2)14-22(20)27/h7-8,10-16H,3-6,9H2,1-2H3