[6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-(dimethylsulfamoyl)benzoate

Systemtic Name: [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-(dimethylsulfamoyl)benzoate Openeye Name: [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 4-(dimethylsulfamoyl)benzoate CAS Name: 4-(dimethylsulfamoyl)benzoic acid [6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-(dimethylsulfamoyl)benzoate Traditional Name: 4-(dimethylsulfamoyl)benzoic acid [6-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-keto-pyran-3-yl] ester Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C21H21N3O6S2/c1-13-9-14(2)23-21(22-13)31-12-16-10-18(25)19(11-29-16)30-20(26)15-5-7-17(8-6-15)32(27,28)24(3)4/h5-11H,12H2,1-4H3