methyl 2-(2-imidazol-1-ylethyl)-6,7-dihydro-1-benzothiophene-5-carboxylate

Systemtic Name: methyl 2-(2-imidazol-1-ylethyl)-6,7-dihydro-1-benzothiophene-5-carboxylate Openeye Name: methyl 2-(2-imidazol-1-ylethyl)-6,7-dihydrobenzothiophene-5-carboxylate CAS Name: 2-[2-(1-imidazolyl)ethyl]-6,7-dihydro-1-benzothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-imidazol-1-ylethyl)-6,7-dihydro-1-benzothiophene-5-carboxylate Traditional Name: 2-(2-imidazol-1-ylethyl)-6,7-dihydrobenzothiophene-5-carboxylic acid methyl ester Formula: C15H16N2O2S MolecularWeight: 288.36474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CC1)SC(=C2)CCN3C=CN=C3

Isomeric SMILES

COC(=O)C1=CC2=C(CC1)SC(=C2)CCN3C=CN=C3

InChI

InChI=1S/C15H16N2O2S/c1-19-15(18)11-2-3-14-12(8-11)9-13(20-14)4-6-17-7-5-16-10-17/h5,7-10H,2-4,6H2,1H3