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

Systemtic Name: 5-(imidazol-1-ylmethyl)-6,7-dihydro-1-benzothiophene-2-carboxylic acid Openeye Name: 5-(imidazol-1-ylmethyl)-6,7-dihydrobenzothiophene-2-carboxylic acid CAS Name: 5-(1-imidazolylmethyl)-6,7-dihydro-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-(imidazol-1-ylmethyl)-6,7-dihydro-1-benzothiophene-2-carboxylic acid Traditional Name: 5-(imidazol-1-ylmethyl)-6,7-dihydrobenzothiophene-2-carboxylic acid Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C1CN3C=CN=C3)C=C(S2)C(=O)O

Isomeric SMILES

C1CC2=C(C=C1CN3C=CN=C3)C=C(S2)C(=O)O

InChI

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