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

Systemtic Name: 2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid Openeye Name: 2-(imidazol-1-ylmethyl)-4,5-dihydrobenzothiophene-6-carboxylic acid CAS Name: 2-(1-imidazolylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid IUPAC Name: 2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid Traditional Name: 2-(imidazol-1-ylmethyl)-4,5-dihydrobenzothiophene-6-carboxylic acid Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C1C(=O)O)SC(=C2)CN3C=CN=C3

Isomeric SMILES

C1CC2=C(C=C1C(=O)O)SC(=C2)CN3C=CN=C3

InChI

InChI=1S/C13H12N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-6,8H,1-2,7H2,(H,16,17)