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

Systemtic Name: O1-methyl O2-[6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] benzene-1,2-dicarboxylate Openeye Name: O1-methyl O2-[6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-methyl ester O2-[6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: 1-O-methyl 2-O-[6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O2-[4-keto-6-[[(4-methylpyrimidin-2-yl)thio]methyl]pyran-3-yl] ester O1-methyl ester Formula: C20H16N2O6S MolecularWeight: 412.41584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H16N2O6S/c1-12-7-8-21-20(22-12)29-11-13-9-16(23)17(10-27-13)28-19(25)15-6-4-3-5-14(15)18(24)26-2/h3-10H,11H2,1-2H3