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

Systemtic Name: methyl 2-[3-(cyanomethyl)phenyl]carbonylthieno[2,3-b]thiophene-5-carboxylate Openeye Name: methyl 2-[3-(cyanomethyl)benzoyl]thieno[2,3-b]thiophene-5-carboxylate CAS Name: 2-[[3-(cyanomethyl)phenyl]-oxomethyl]-5-thieno[2,3-b]thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(cyanomethyl)benzoyl]thieno[2,3-b]thiophene-5-carboxylate Traditional Name: 2-[3-(cyanomethyl)benzoyl]thieno[2,3-b]thiophene-5-carboxylic acid methyl ester Formula: C17H11NO3S2 MolecularWeight: 341.40414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)SC(=C2)C(=O)C3=CC(=CC=C3)CC#N

Isomeric SMILES

COC(=O)C1=CC2=C(S1)SC(=C2)C(=O)C3=CC(=CC=C3)CC#N

InChI

InChI=1S/C17H11NO3S2/c1-21-16(20)14-9-12-8-13(22-17(12)23-14)15(19)11-4-2-3-10(7-11)5-6-18/h2-4,7-9H,5H2,1H3