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

Systemtic Name: methyl 2-[3-(1-cyanopropyl)phenyl]carbonylthieno[2,3-b]thiophene-5-carboxylate Openeye Name: methyl 2-[3-(1-cyanopropyl)benzoyl]thieno[2,3-b]thiophene-5-carboxylate CAS Name: 2-[[3-(1-cyanopropyl)phenyl]-oxomethyl]-5-thieno[2,3-b]thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(1-cyanopropyl)benzoyl]thieno[2,3-b]thiophene-5-carboxylate Traditional Name: 2-[3-(1-cyanopropyl)benzoyl]thieno[2,3-b]thiophene-5-carboxylic acid methyl ester Formula: C19H15NO3S2 MolecularWeight: 369.4573

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15NO3S2/c1-3-11(10-20)12-5-4-6-13(7-12)17(21)15-8-14-9-16(18(22)23-2)25-19(14)24-15/h4-9,11H,3H2,1-2H3