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

Systemtic Name: [4-(5-propyl-1,3-dioxan-2-yl)phenyl] 2-pentylthieno[2,3-b]thiophene-5-carboxylate Openeye Name: [4-(5-propyl-1,3-dioxan-2-yl)phenyl] 2-pentylthieno[2,3-b]thiophene-5-carboxylate CAS Name: 2-pentyl-5-thieno[2,3-b]thiophenecarboxylic acid [4-(5-propyl-1,3-dioxan-2-yl)phenyl] ester IUPAC Name: [4-(5-propyl-1,3-dioxan-2-yl)phenyl] 2-pentylthieno[2,3-b]thiophene-5-carboxylate Traditional Name: 2-amylthieno[2,3-b]thiophene-5-carboxylic acid [4-(5-propyl-1,3-dioxan-2-yl)phenyl] ester Formula: C25H30O4S2 MolecularWeight: 458.6333

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(S1)SC(=C2)C(=O)OC3=CC=C(C=C3)C4OCC(CO4)CCC

Isomeric SMILES

CCCCCC1=CC2=C(S1)SC(=C2)C(=O)OC3=CC=C(C=C3)C4OCC(CO4)CCC

InChI

InChI=1S/C25H30O4S2/c1-3-5-6-8-21-13-19-14-22(31-25(19)30-21)23(26)29-20-11-9-18(10-12-20)24-27-15-17(7-4-2)16-28-24/h9-14,17,24H,3-8,15-16H2,1-2H3