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

Systemtic Name: methyl 2-(2-imidazol-1-ylethanoyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate Openeye Name: methyl 2-(2-imidazol-1-ylacetyl)-4,5,6,7-tetrahydrobenzothiophene-6-carboxylate CAS Name: 2-[2-(1-imidazolyl)-1-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-imidazol-1-ylacetyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate Traditional Name: 2-(2-imidazol-1-ylacetyl)-4,5,6,7-tetrahydrobenzothiophene-6-carboxylic acid methyl ester Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC2=C(C1)SC(=C2)C(=O)CN3C=CN=C3

Isomeric SMILES

COC(=O)C1CCC2=C(C1)SC(=C2)C(=O)CN3C=CN=C3

InChI

InChI=1S/C15H16N2O3S/c1-20-15(19)11-3-2-10-6-14(21-13(10)7-11)12(18)8-17-5-4-16-9-17/h4-6,9,11H,2-3,7-8H2,1H3