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

Systemtic Name: methyl 2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylate Openeye Name: methyl 2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophene-5-carboxylate CAS Name: 2-(1-imidazolylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylate Traditional Name: 2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophene-5-carboxylic acid methyl ester Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC2=C(C1)C=C(S2)CN3C=CN=C3

Isomeric SMILES

COC(=O)C1CCC2=C(C1)C=C(S2)CN3C=CN=C3

InChI

InChI=1S/C14H16N2O2S/c1-18-14(17)10-2-3-13-11(6-10)7-12(19-13)8-16-5-4-15-9-16/h4-5,7,9-10H,2-3,6,8H2,1H3