ethyl 3-(cyanomethyl)-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-(cyanomethyl)-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-(cyanomethyl)-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 3-(cyanomethyl)-2,3-dihydro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(cyanomethyl)-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 3-(cyanomethyl)-2,3-dihydrobenzothiophene-2-carboxylic acid ethyl ester Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=CC=CC=C2S1)CC#N

Isomeric SMILES

CCOC(=O)C1C(C2=CC=CC=C2S1)CC#N

InChI

InChI=1S/C13H13NO2S/c1-2-16-13(15)12-10(7-8-14)9-5-3-4-6-11(9)17-12/h3-6,10,12H,2,7H2,1H3