[(2S)-3-(5-methyl-2-methylsulfanyl-4-oxidanylidene-pyrimidin-1-yl)-2-(4-methylphenyl)sulfonyloxy-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-3-(5-methyl-2-methylsulfanyl-4-oxidanylidene-pyrimidin-1-yl)-2-(4-methylphenyl)sulfonyloxy-propyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-3-(5-methyl-2-methylsulfanyl-4-oxo-pyrimidin-1-yl)-2-(p-tolylsulfonyloxy)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-3-[5-methyl-2-(methylthio)-4-oxo-1-pyrimidinyl]-2-(4-methylphenyl)sulfonyloxypropyl] ester IUPAC Name: [(2S)-3-(5-methyl-2-methylsulfanyl-4-oxopyrimidin-1-yl)-2-(4-methylphenyl)sulfonyloxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-3-[4-keto-5-methyl-2-(methylthio)pyrimidin-1-yl]-2-tosyloxy-propyl] ester Formula: C23H26N2O7S3 MolecularWeight: 538.65674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CN2C=C(C(=O)N=C2SC)C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CN2C=C(C(=O)N=C2SC)C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H26N2O7S3/c1-16-5-9-20(10-6-16)34(27,28)31-15-19(14-25-13-18(3)22(26)24-23(25)33-4)32-35(29,30)21-11-7-17(2)8-12-21/h5-13,19H,14-15H2,1-4H3/t19-/m0/s1