3-[(1-methylimidazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-[(1-methylimidazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-[(1-methylimidazol-2-yl)sulfanylmethyl]benzofuran-2-carboxylic acid CAS Name: 3-[[(1-methyl-2-imidazolyl)thio]methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-[(1-methylimidazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[[(1-methylimidazol-2-yl)thio]methyl]coumarilic acid Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=C(OC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CN1C=CN=C1SCC2=C(OC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C14H12N2O3S/c1-16-7-6-15-14(16)20-8-10-9-4-2-3-5-11(9)19-12(10)13(17)18/h2-7H,8H2,1H3,(H,17,18)