[4-(1-cyano-4-propyl-cyclohexyl)phenyl] 2-pentylthieno[2,3-b]thiophene-5-carboxylate

Systemtic Name: [4-(1-cyano-4-propyl-cyclohexyl)phenyl] 2-pentylthieno[2,3-b]thiophene-5-carboxylate Openeye Name: [4-(1-cyano-4-propyl-cyclohexyl)phenyl] 2-pentylthieno[2,3-b]thiophene-5-carboxylate CAS Name: 2-pentyl-5-thieno[2,3-b]thiophenecarboxylic acid [4-(1-cyano-4-propylcyclohexyl)phenyl] ester IUPAC Name: [4-(1-cyano-4-propylcyclohexyl)phenyl] 2-pentylthieno[2,3-b]thiophene-5-carboxylate Traditional Name: 2-amylthieno[2,3-b]thiophene-5-carboxylic acid [4-(1-cyano-4-propyl-cyclohexyl)phenyl] ester Formula: C28H33NO2S2 MolecularWeight: 479.69712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(S1)SC(=C2)C(=O)OC3=CC=C(C=C3)C4(CCC(CC4)CCC)C#N

Isomeric SMILES

CCCCCC1=CC2=C(S1)SC(=C2)C(=O)OC3=CC=C(C=C3)C4(CCC(CC4)CCC)C#N

InChI

InChI=1S/C28H33NO2S2/c1-3-5-6-8-24-17-21-18-25(33-27(21)32-24)26(30)31-23-11-9-22(10-12-23)28(19-29)15-13-20(7-4-2)14-16-28/h9-12,17-18,20H,3-8,13-16H2,1-2H3