6-(2-imidazol-1-ylethyl)-2-methyl-1-benzothiophene-3-carboxylic acid

Systemtic Name: 6-(2-imidazol-1-ylethyl)-2-methyl-1-benzothiophene-3-carboxylic acid Openeye Name: 6-(2-imidazol-1-ylethyl)-2-methyl-benzothiophene-3-carboxylic acid CAS Name: 6-[2-(1-imidazolyl)ethyl]-2-methyl-1-benzothiophene-3-carboxylic acid IUPAC Name: 6-(2-imidazol-1-ylethyl)-2-methyl-1-benzothiophene-3-carboxylic acid Traditional Name: 6-(2-imidazol-1-ylethyl)-2-methyl-benzothiophene-3-carboxylic acid Formula: C15H14N2O2S MolecularWeight: 286.34886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)C=C(C=C2)CCN3C=CN=C3)C(=O)O

Isomeric SMILES

CC1=C(C2=C(S1)C=C(C=C2)CCN3C=CN=C3)C(=O)O

InChI

InChI=1S/C15H14N2O2S/c1-10-14(15(18)19)12-3-2-11(8-13(12)20-10)4-6-17-7-5-16-9-17/h2-3,5,7-9H,4,6H2,1H3,(H,18,19)