6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylthio)-4-pyrimidinecarboxylate IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylthio)pyrimidine-4-carboxylate Formula: C14H11N2O4S- MolecularWeight: 303.31314

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)C(=O)[O-])C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CSC1=NC(=CC(=N1)C(=O)[O-])C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C14H12N2O4S/c1-21-14-15-9(7-10(16-14)13(17)18)8-2-3-11-12(6-8)20-5-4-19-11/h2-3,6-7H,4-5H2,1H3,(H,17,18)/p-1