3-[pyridin-2-yl-bis(sulfanyl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: 3-[pyridin-2-yl-bis(sulfanyl)methyl]-1-benzofuran-2-carboxylate Openeye Name: 3-[2-pyridyl-bis(sulfanyl)methyl]benzofuran-2-carboxylate CAS Name: 3-[dimercapto(2-pyridinyl)methyl]-2-benzofurancarboxylate IUPAC Name: 3-[pyridin-2-yl-bis(sulfanyl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[dimercapto(2-pyridyl)methyl]coumarilate Formula: C15H10NO3S2- MolecularWeight: 316.3748

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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)S

Isomeric SMILES

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

InChI

InChI=1S/C15H11NO3S2/c17-14(18)13-12(9-5-1-2-6-10(9)19-13)15(20,21)11-7-3-4-8-16-11/h1-8,20-21H,(H,17,18)/p-1