(4-cyanophenyl) 6-chloranyl-2-heptyl-thieno[3,2-b]thiophene-5-carboxylate

Systemtic Name: (4-cyanophenyl) 6-chloranyl-2-heptyl-thieno[3,2-b]thiophene-5-carboxylate Openeye Name: (4-cyanophenyl) 6-chloro-2-heptyl-thieno[3,2-b]thiophene-5-carboxylate CAS Name: 6-chloro-2-heptyl-5-thieno[3,2-b]thiophenecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 6-chloro-2-heptylthieno[3,2-b]thiophene-5-carboxylate Traditional Name: 6-chloro-2-heptyl-thieno[3,2-b]thiophene-5-carboxylic acid (4-cyanophenyl) ester Formula: C21H20ClNO2S2 MolecularWeight: 417.972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=C(S1)C(=C(S2)C(=O)OC3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

CCCCCCCC1=CC2=C(S1)C(=C(S2)C(=O)OC3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C21H20ClNO2S2/c1-2-3-4-5-6-7-16-12-17-19(26-16)18(22)20(27-17)21(24)25-15-10-8-14(13-23)9-11-15/h8-12H,2-7H2,1H3