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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)CCC(C2)CCN3C=CN=C3

Isomeric SMILES

COC(=O)C1=CC2=C(S1)CCC(C2)CCN3C=CN=C3

InChI

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