methyl 2-[imidazol-1-yl(phenyl)methyl]-4,5-dihydro-1-benzothiophene-6-carboxylate

Systemtic Name: methyl 2-[imidazol-1-yl(phenyl)methyl]-4,5-dihydro-1-benzothiophene-6-carboxylate Openeye Name: methyl 2-[imidazol-1-yl(phenyl)methyl]-4,5-dihydrobenzothiophene-6-carboxylate CAS Name: 2-[1-imidazolyl(phenyl)methyl]-4,5-dihydro-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[imidazol-1-yl(phenyl)methyl]-4,5-dihydro-1-benzothiophene-6-carboxylate Traditional Name: 2-[imidazol-1-yl(phenyl)methyl]-4,5-dihydrobenzothiophene-6-carboxylic acid methyl ester Formula: C20H18N2O2S MolecularWeight: 350.43412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CC1)C=C(S2)C(C3=CC=CC=C3)N4C=CN=C4

Isomeric SMILES

COC(=O)C1=CC2=C(CC1)C=C(S2)C(C3=CC=CC=C3)N4C=CN=C4

InChI

InChI=1S/C20H18N2O2S/c1-24-20(23)16-8-7-15-11-18(25-17(15)12-16)19(22-10-9-21-13-22)14-5-3-2-4-6-14/h2-6,9-13,19H,7-8H2,1H3