3-[2-[2-[4-(dimethylsulfamoyl)phenoxy]ethylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[2-[2-[4-(dimethylsulfamoyl)phenoxy]ethylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-[4-(dimethylsulfamoyl)phenoxy]ethylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[2-[4-(dimethylsulfamoyl)phenoxy]ethylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[2-[4-(dimethylsulfamoyl)phenoxy]ethylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[2-[4-(dimethylsulfamoyl)phenoxy]ethylthio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C18H23N3O6S2 MolecularWeight: 441.52172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCCOC2=CC=C(C=C2)S(=O)(=O)N(C)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCCOC2=CC=C(C=C2)S(=O)(=O)N(C)C)CCC(=O)O

InChI

InChI=1S/C18H23N3O6S2/c1-12-15(8-9-16(22)23)17(24)20-18(19-12)28-11-10-27-13-4-6-14(7-5-13)29(25,26)21(2)3/h4-7H,8-11H2,1-3H3,(H,22,23)(H,19,20,24)