methyl 2-[cyclohexyl(imidazol-1-yl)methyl]-6,7-dihydro-1-benzothiophene-5-carboxylate

Systemtic Name: methyl 2-[cyclohexyl(imidazol-1-yl)methyl]-6,7-dihydro-1-benzothiophene-5-carboxylate Openeye Name: methyl 2-[cyclohexyl(imidazol-1-yl)methyl]-6,7-dihydrobenzothiophene-5-carboxylate CAS Name: 2-[cyclohexyl(1-imidazolyl)methyl]-6,7-dihydro-1-benzothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[cyclohexyl(imidazol-1-yl)methyl]-6,7-dihydro-1-benzothiophene-5-carboxylate Traditional Name: 2-[cyclohexyl(imidazol-1-yl)methyl]-6,7-dihydrobenzothiophene-5-carboxylic acid methyl ester Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CC1)SC(=C2)C(C3CCCCC3)N4C=CN=C4

Isomeric SMILES

COC(=O)C1=CC2=C(CC1)SC(=C2)C(C3CCCCC3)N4C=CN=C4

InChI

InChI=1S/C20H24N2O2S/c1-24-20(23)15-7-8-17-16(11-15)12-18(25-17)19(22-10-9-21-13-22)14-5-3-2-4-6-14/h9-14,19H,2-8H2,1H3