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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)CCC(C2)CN3C=CN=C3

Isomeric SMILES

COC(=O)C1=CC2=C(S1)CCC(C2)CN3C=CN=C3

InChI

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