methyl 3-(cyanomethyl)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-(cyanomethyl)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-(cyanomethyl)benzothiophene-2-carboxylate CAS Name: 3-(cyanomethyl)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(cyanomethyl)-1-benzothiophene-2-carboxylate Traditional Name: 3-(cyanomethyl)benzothiophene-2-carboxylic acid methyl ester Formula: C12H9NO2S MolecularWeight: 231.27036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)CC#N

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)CC#N

InChI

InChI=1S/C12H9NO2S/c1-15-12(14)11-9(6-7-13)8-4-2-3-5-10(8)16-11/h2-5H,6H2,1H3