ethyl 2-cyano-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate

Systemtic Name: ethyl 2-cyano-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate Openeye Name: ethyl 2-cyano-4,5,6,7-tetrahydrobenzothiophene-6-carboxylate CAS Name: 2-cyano-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-cyano-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate Traditional Name: 2-cyano-4,5,6,7-tetrahydrobenzothiophene-6-carboxylic acid ethyl ester Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC2=C(C1)SC(=C2)C#N

Isomeric SMILES

CCOC(=O)C1CCC2=C(C1)SC(=C2)C#N

InChI

InChI=1S/C12H13NO2S/c1-2-15-12(14)9-4-3-8-5-10(7-13)16-11(8)6-9/h5,9H,2-4,6H2,1H3