[4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: [4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4,5-trimethoxyphenyl)-2-propenoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester IUPAC Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4,5-trimethoxyphenyl)acrylic acid [4-keto-6-[(2-pyrimidylthio)methyl]pyran-3-yl] ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3

InChI

InChI=1S/C22H20N2O7S/c1-27-17-9-14(10-18(28-2)21(17)29-3)5-6-20(26)31-19-12-30-15(11-16(19)25)13-32-22-23-7-4-8-24-22/h4-12H,13H2,1-3H3/b6-5+