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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)O)C=C(S2)CCN3C=CN=C3

Isomeric SMILES

C1CC2=C(CC1C(=O)O)C=C(S2)CCN3C=CN=C3

InChI

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