8-(pyrimidin-2-ylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: 8-(pyrimidin-2-ylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-(pyrimidin-2-ylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[(2-pyrimidinylthio)methyl]-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-(pyrimidin-2-ylsulfanylmethyl)-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[(2-pyrimidylthio)methyl]-4H-1,3-benzodioxin-6-carboxylate Formula: C14H11N2O4S- MolecularWeight: 303.31314

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)C(=O)[O-])CSC3=NC=CC=N3)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)C(=O)[O-])CSC3=NC=CC=N3)OCO1

InChI

InChI=1S/C14H12N2O4S/c17-13(18)9-4-10-6-19-8-20-12(10)11(5-9)7-21-14-15-2-1-3-16-14/h1-5H,6-8H2,(H,17,18)/p-1