methyl 2-(2-imidazol-1-ylethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate

Systemtic Name: methyl 2-(2-imidazol-1-ylethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate Openeye Name: methyl 2-(2-imidazol-1-ylethyl)-4,5-dihydrobenzothiophene-6-carboxylate CAS Name: 2-[2-(1-imidazolyl)ethyl]-4,5-dihydro-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-imidazol-1-ylethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate Traditional Name: 2-(2-imidazol-1-ylethyl)-4,5-dihydrobenzothiophene-6-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)C=C(S2)CCN3C=CN=C3

Isomeric SMILES

COC(=O)C1=CC2=C(CC1)C=C(S2)CCN3C=CN=C3

InChI

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