3-(pyrimidin-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: 3-(pyrimidin-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: 3-(pyrimidin-2-ylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(2-pyrimidinylthio)methyl]-2-benzofurancarboxylate IUPAC Name: 3-(pyrimidin-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(2-pyrimidylthio)methyl]coumarilate Formula: C14H9N2O3S- MolecularWeight: 285.29786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O3S/c17-13(18)12-10(8-20-14-15-6-3-7-16-14)9-4-1-2-5-11(9)19-12/h1-7H,8H2,(H,17,18)/p-1