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

Systemtic Name: methyl 6-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-(imidazol-1-ylmethyl)-4,5-dihydrobenzothiophene-2-carboxylate CAS Name: 6-(1-imidazolylmethyl)-4,5-dihydro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-(imidazol-1-ylmethyl)-4,5-dihydrobenzothiophene-2-carboxylic acid methyl ester Formula: C14H14N2O2S MolecularWeight: 274.33816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=C(CC2)CN3C=CN=C3

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=C(CC2)CN3C=CN=C3

InChI

InChI=1S/C14H14N2O2S/c1-18-14(17)13-7-11-3-2-10(6-12(11)19-13)8-16-5-4-15-9-16/h4-7,9H,2-3,8H2,1H3