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

Systemtic Name: [4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester IUPAC Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-keto-6-[(2-pyrimidylthio)methyl]pyran-3-yl] ester Formula: C18H12N2O6S MolecularWeight: 384.36268

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=COC(=CC3=O)CSC4=NC=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=COC(=CC3=O)CSC4=NC=CC=N4

InChI

InChI=1S/C18H12N2O6S/c21-13-7-12(9-27-18-19-4-1-5-20-18)23-8-16(13)26-17(22)11-2-3-14-15(6-11)25-10-24-14/h1-8H,9-10H2