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

Systemtic Name: [4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 1-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 1-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester IUPAC Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid [4-keto-6-[(2-pyrimidylthio)methyl]pyran-3-yl] ester Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC3=COC(=CC3=O)CSC4=NC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC3=COC(=CC3=O)CSC4=NC=CC=N4

InChI

InChI=1S/C22H19N3O6S/c1-29-16-5-3-15(4-6-16)25-11-14(9-20(25)27)21(28)31-19-12-30-17(10-18(19)26)13-32-22-23-7-2-8-24-22/h2-8,10,12,14H,9,11,13H2,1H3