(4-butoxyphenyl) 2-pentylthieno[2,3-b]thiophene-5-carboxylate

Systemtic Name: (4-butoxyphenyl) 2-pentylthieno[2,3-b]thiophene-5-carboxylate Openeye Name: (4-butoxyphenyl) 2-pentylthieno[2,3-b]thiophene-5-carboxylate CAS Name: 2-pentyl-5-thieno[2,3-b]thiophenecarboxylic acid (4-butoxyphenyl) ester IUPAC Name: (4-butoxyphenyl) 2-pentylthieno[2,3-b]thiophene-5-carboxylate Traditional Name: 2-amylthieno[2,3-b]thiophene-5-carboxylic acid (4-butoxyphenyl) ester Formula: C22H26O3S2 MolecularWeight: 402.57004

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)OCCCC

Isomeric SMILES

CCCCCC1=CC2=C(S1)SC(=C2)C(=O)OC3=CC=C(C=C3)OCCCC

InChI

InChI=1S/C22H26O3S2/c1-3-5-7-8-19-14-16-15-20(27-22(16)26-19)21(23)25-18-11-9-17(10-12-18)24-13-6-4-2/h9-12,14-15H,3-8,13H2,1-2H3