methyl 2-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate

Systemtic Name: methyl 2-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate Openeye Name: methyl 2-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydrobenzothiophene-6-carboxylate CAS Name: 2-[2-(1-imidazolyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate Traditional Name: 2-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydrobenzothiophene-6-carboxylic acid methyl ester Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC2=C(C1)SC(=C2)CCN3C=CN=C3

Isomeric SMILES

COC(=O)C1CCC2=C(C1)SC(=C2)CCN3C=CN=C3

InChI

InChI=1S/C15H18N2O2S/c1-19-15(18)12-3-2-11-8-13(20-14(11)9-12)4-6-17-7-5-16-10-17/h5,7-8,10,12H,2-4,6,9H2,1H3