3-[pyridin-2-yl(sulfanyl)methyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-[pyridin-2-yl(sulfanyl)methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-[2-pyridyl(sulfanyl)methyl]benzofuran-2-carboxylic acid CAS Name: 3-[mercapto(2-pyridinyl)methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-[pyridin-2-yl(sulfanyl)methyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[mercapto(2-pyridyl)methyl]coumarilic acid Formula: C15H11NO3S MolecularWeight: 285.31774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)C(C3=CC=CC=N3)S

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)C(C3=CC=CC=N3)S

InChI

InChI=1S/C15H11NO3S/c17-15(18)13-12(9-5-1-2-7-11(9)19-13)14(20)10-6-3-4-8-16-10/h1-8,14,20H,(H,17,18)