[3-(dimethylsulfamoyl)phenyl]methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [3-(dimethylsulfamoyl)phenyl]methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [3-(dimethylsulfamoyl)phenyl]methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [3-(dimethylsulfamoyl)phenyl]methyl ester IUPAC Name: [3-(dimethylsulfamoyl)phenyl]methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [3-(dimethylsulfamoyl)benzyl] ester Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=CC(=CC=C2)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=CC(=CC=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C19H25N3O4S2/c1-13-17(14(2)21-19(20-13)27-5)9-10-18(23)26-12-15-7-6-8-16(11-15)28(24,25)22(3)4/h6-8,11H,9-10,12H2,1-5H3