methyl 4-[(E)-6-cyanohex-1-enyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 4-[(E)-6-cyanohex-1-enyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-[(E)-6-cyanohex-1-enyl]benzothiophene-2-carboxylate CAS Name: 4-[(E)-6-cyanohex-1-enyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[(E)-6-cyanohex-1-enyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-[(E)-6-cyanohex-1-enyl]benzothiophene-2-carboxylic acid methyl ester Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC=C2S1)C=CCCCCC#N

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC=C2S1)/C=C/CCCCC#N

InChI

InChI=1S/C17H17NO2S/c1-20-17(19)16-12-14-13(9-7-10-15(14)21-16)8-5-3-2-4-6-11-18/h5,7-10,12H,2-4,6H2,1H3/b8-5+