2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-(1-imidazolylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)CN3C=CN=C3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)CN3C=CN=C3)C(=O)O

InChI

InChI=1S/C13H14N2O2S/c16-13(17)12-9-3-1-2-4-10(9)18-11(12)7-15-6-5-14-8-15/h5-6,8H,1-4,7H2,(H,16,17)