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

Systemtic Name: 2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid Openeye Name: 2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophene-5-carboxylic acid CAS Name: 2-(1-imidazolylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid IUPAC Name: 2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid Traditional Name: 2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophene-5-carboxylic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)O)C=C(S2)CN3C=CN=C3

Isomeric SMILES

C1CC2=C(CC1C(=O)O)C=C(S2)CN3C=CN=C3

InChI

InChI=1S/C13H14N2O2S/c16-13(17)9-1-2-12-10(5-9)6-11(18-12)7-15-4-3-14-8-15/h3-4,6,8-9H,1-2,5,7H2,(H,16,17)