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

Systemtic Name: [4-(5-propyl-1,3-dioxan-2-yl)phenyl] 2-pentylthieno[3,2-b]thiophene-5-carboxylate Openeye Name: [4-(5-propyl-1,3-dioxan-2-yl)phenyl] 2-pentylthieno[3,2-b]thiophene-5-carboxylate CAS Name: 2-pentyl-5-thieno[3,2-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[3,2-b]thiophene-5-carboxylate Traditional Name: 2-amylthieno[3,2-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)C=C(S2)C(=O)OC3=CC=C(C=C3)C4OCC(CO4)CCC

Isomeric SMILES

CCCCCC1=CC2=C(S1)C=C(S2)C(=O)OC3=CC=C(C=C3)C4OCC(CO4)CCC

InChI

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