methyl 2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate

Systemtic Name: methyl 2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate Openeye Name: methyl 2-(imidazol-1-ylmethyl)-4,5-dihydrobenzothiophene-6-carboxylate CAS Name: 2-(1-imidazolylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylate Traditional Name: 2-(imidazol-1-ylmethyl)-4,5-dihydrobenzothiophene-6-carboxylic acid methyl ester Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CC1)C=C(S2)CN3C=CN=C3

Isomeric SMILES

COC(=O)C1=CC2=C(CC1)C=C(S2)CN3C=CN=C3

InChI

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