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

Systemtic Name: methyl 2-[3-(1-cyanoethyl)phenyl]carbonylthieno[2,3-b]thiophene-5-carboxylate Openeye Name: methyl 2-[3-(1-cyanoethyl)benzoyl]thieno[2,3-b]thiophene-5-carboxylate CAS Name: 2-[[3-(1-cyanoethyl)phenyl]-oxomethyl]-5-thieno[2,3-b]thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(1-cyanoethyl)benzoyl]thieno[2,3-b]thiophene-5-carboxylate Traditional Name: 2-[3-(1-cyanoethyl)benzoyl]thieno[2,3-b]thiophene-5-carboxylic acid methyl ester Formula: C18H13NO3S2 MolecularWeight: 355.43072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13NO3S2/c1-10(9-19)11-4-3-5-12(6-11)16(20)14-7-13-8-15(17(21)22-2)24-18(13)23-14/h3-8,10H,1-2H3