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

Systemtic Name: methyl 2-(imidazol-1-ylmethyl)-6,7-dihydro-1-benzothiophene-5-carboxylate Openeye Name: methyl 2-(imidazol-1-ylmethyl)-6,7-dihydrobenzothiophene-5-carboxylate CAS Name: 2-(1-imidazolylmethyl)-6,7-dihydro-1-benzothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(imidazol-1-ylmethyl)-6,7-dihydro-1-benzothiophene-5-carboxylate Traditional Name: 2-(imidazol-1-ylmethyl)-6,7-dihydrobenzothiophene-5-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(CC1)SC(=C2)CN3C=CN=C3

Isomeric SMILES

COC(=O)C1=CC2=C(CC1)SC(=C2)CN3C=CN=C3

InChI

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