O1-methyl O2-[4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzene-1,2-dicarboxylate

Systemtic Name: O1-methyl O2-[4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzene-1,2-dicarboxylate Openeye Name: O1-methyl O2-[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-methyl ester O2-[4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester IUPAC Name: 1-O-methyl 2-O-[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-[4-keto-6-[(2-pyrimidylthio)methyl]pyran-3-yl] ester O1-methyl ester Formula: C19H14N2O6S MolecularWeight: 398.38926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3

InChI

InChI=1S/C19H14N2O6S/c1-25-17(23)13-5-2-3-6-14(13)18(24)27-16-10-26-12(9-15(16)22)11-28-19-20-7-4-8-21-19/h2-10H,11H2,1H3