[6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [6-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-keto-pyran-3-yl] ester Formula: C20H16N2O6S MolecularWeight: 412.41584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC4=C(C=C3)OCO4)C

InChI

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