methyl 2-[3-(1-cyanopentyl)phenyl]carbonylthieno[2,3-b]thiophene-5-carboxylate

Systemtic Name: methyl 2-[3-(1-cyanopentyl)phenyl]carbonylthieno[2,3-b]thiophene-5-carboxylate Openeye Name: methyl 2-[3-(1-cyanopentyl)benzoyl]thieno[2,3-b]thiophene-5-carboxylate CAS Name: 2-[[3-(1-cyanopentyl)phenyl]-oxomethyl]-5-thieno[2,3-b]thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(1-cyanopentyl)benzoyl]thieno[2,3-b]thiophene-5-carboxylate Traditional Name: 2-[3-(1-cyanopentyl)benzoyl]thieno[2,3-b]thiophene-5-carboxylic acid methyl ester Formula: C21H19NO3S2 MolecularWeight: 397.51046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#N)C1=CC=CC(=C1)C(=O)C2=CC3=C(S2)SC(=C3)C(=O)OC

Isomeric SMILES

CCCCC(C#N)C1=CC=CC(=C1)C(=O)C2=CC3=C(S2)SC(=C3)C(=O)OC

InChI

InChI=1S/C21H19NO3S2/c1-3-4-6-15(12-22)13-7-5-8-14(9-13)19(23)17-10-16-11-18(20(24)25-2)27-21(16)26-17/h5,7-11,15H,3-4,6H2,1-2H3