(4-cyanophenyl) 2-butylthieno[3,2-b]thiophene-5-carboxylate

Systemtic Name: (4-cyanophenyl) 2-butylthieno[3,2-b]thiophene-5-carboxylate Openeye Name: (4-cyanophenyl) 2-butylthieno[3,2-b]thiophene-5-carboxylate CAS Name: 2-butyl-5-thieno[3,2-b]thiophenecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-butylthieno[3,2-b]thiophene-5-carboxylate Traditional Name: 2-butylthieno[3,2-b]thiophene-5-carboxylic acid (4-cyanophenyl) ester Formula: C18H15NO2S2 MolecularWeight: 341.4472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(S1)C=C(S2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1=CC2=C(S1)C=C(S2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H15NO2S2/c1-2-3-4-14-9-15-16(22-14)10-17(23-15)18(20)21-13-7-5-12(11-19)6-8-13/h5-10H,2-4H2,1H3