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

Systemtic Name: (4-bromophenyl) 2-pentylthieno[3,2-b]thiophene-5-carboxylate Openeye Name: (4-bromophenyl) 2-pentylthieno[3,2-b]thiophene-5-carboxylate CAS Name: 2-pentyl-5-thieno[3,2-b]thiophenecarboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 2-pentylthieno[3,2-b]thiophene-5-carboxylate Traditional Name: 2-amylthieno[3,2-b]thiophene-5-carboxylic acid (4-bromophenyl) ester Formula: C18H17BrO2S2 MolecularWeight: 409.36038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(S1)C=C(S2)C(=O)OC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCCC1=CC2=C(S1)C=C(S2)C(=O)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrO2S2/c1-2-3-4-5-14-10-15-16(22-14)11-17(23-15)18(20)21-13-8-6-12(19)7-9-13/h6-11H,2-5H2,1H3