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

Systemtic Name: [4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3,5-dimethoxybenzoate Openeye Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester IUPAC Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [4-keto-6-[(2-pyrimidylthio)methyl]pyran-3-yl] ester Formula: C19H16N2O6S MolecularWeight: 400.40514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3)OC

InChI

InChI=1S/C19H16N2O6S/c1-24-13-6-12(7-14(8-13)25-2)18(23)27-17-10-26-15(9-16(17)22)11-28-19-20-4-3-5-21-19/h3-10H,11H2,1-2H3