3-(imidazol-1-ylmethyl)-2-methyl-1-benzothiophene-7-carboxylic acid

Systemtic Name: 3-(imidazol-1-ylmethyl)-2-methyl-1-benzothiophene-7-carboxylic acid Openeye Name: 3-(imidazol-1-ylmethyl)-2-methyl-benzothiophene-7-carboxylic acid CAS Name: 3-(1-imidazolylmethyl)-2-methyl-1-benzothiophene-7-carboxylic acid IUPAC Name: 3-(imidazol-1-ylmethyl)-2-methyl-1-benzothiophene-7-carboxylic acid Traditional Name: 3-(imidazol-1-ylmethyl)-2-methyl-benzothiophene-7-carboxylic acid Formula: C14H12N2O2S MolecularWeight: 272.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)C(=CC=C2)C(=O)O)CN3C=CN=C3

Isomeric SMILES

CC1=C(C2=C(S1)C(=CC=C2)C(=O)O)CN3C=CN=C3

InChI

InChI=1S/C14H12N2O2S/c1-9-12(7-16-6-5-15-8-16)10-3-2-4-11(14(17)18)13(10)19-9/h2-6,8H,7H2,1H3,(H,17,18)