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

Systemtic Name: [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-(diethylsulfamoyl)benzoate Openeye Name: [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 4-(diethylsulfamoyl)benzoate CAS Name: 4-(diethylsulfamoyl)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-(diethylsulfamoyl)benzoate Traditional Name: 4-(diethylsulfamoyl)benzoic acid [6-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-keto-pyran-3-yl] ester Formula: C23H25N3O6S2 MolecularWeight: 503.5911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O6S2/c1-5-26(6-2)34(29,30)19-9-7-17(8-10-19)22(28)32-21-13-31-18(12-20(21)27)14-33-23-24-15(3)11-16(4)25-23/h7-13H,5-6,14H2,1-4H3