3-[(4-oxidanidylpyrimidin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: 3-[(4-oxidanidylpyrimidin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: 3-[(4-oxidopyrimidin-2-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4-oxido-2-pyrimidinyl)thio]methyl]-2-benzofurancarboxylate IUPAC Name: 3-[(4-oxidopyrimidin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4-oxidopyrimidin-2-yl)thio]methyl]coumarilate Formula: C14H8N2O4S-2 MolecularWeight: 300.28932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C(=O)[O-])CSC3=NC=CC(=N3)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)[O-])CSC3=NC=CC(=N3)[O-]

InChI

InChI=1S/C14H10N2O4S/c17-11-5-6-15-14(16-11)21-7-9-8-3-1-2-4-10(8)20-12(9)13(18)19/h1-6H,7H2,(H,18,19)(H,15,16,17)/p-2