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

Systemtic Name: methyl 5-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-(1H-imidazol-2-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)CC3=NC=CN3

Isomeric SMILES

COC(=O)C1=CC2=C(S1)CCC(C2)CC3=NC=CN3

InChI

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