[4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-(dimethylsulfamoyl)benzoate

Systemtic Name: [4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-(dimethylsulfamoyl)benzoate Openeye Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-(dimethylsulfamoyl)benzoate CAS Name: 4-(dimethylsulfamoyl)benzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester IUPAC Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-(dimethylsulfamoyl)benzoate Traditional Name: 4-(dimethylsulfamoyl)benzoic acid [4-keto-6-[(2-pyrimidylthio)methyl]pyran-3-yl] ester Formula: C19H17N3O6S2 MolecularWeight: 447.48478

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3

InChI

InChI=1S/C19H17N3O6S2/c1-22(2)30(25,26)15-6-4-13(5-7-15)18(24)28-17-11-27-14(10-16(17)23)12-29-19-20-8-3-9-21-19/h3-11H,12H2,1-2H3