2-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid

Systemtic Name: 2-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid Openeye Name: 2-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydrobenzothiophene-6-carboxylic acid CAS Name: 2-[2-(1-imidazolyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid IUPAC Name: 2-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid Traditional Name: 2-(2-imidazol-1-ylethyl)-4,5,6,7-tetrahydrobenzothiophene-6-carboxylic acid Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)O)SC(=C2)CCN3C=CN=C3

Isomeric SMILES

C1CC2=C(CC1C(=O)O)SC(=C2)CCN3C=CN=C3

InChI

InChI=1S/C14H16N2O2S/c17-14(18)11-2-1-10-7-12(19-13(10)8-11)3-5-16-6-4-15-9-16/h4,6-7,9,11H,1-3,5,8H2,(H,17,18)