(2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: (2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl (2R)-4-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid [2-(methylthio)-4-oxo-1H-pyrimidin-6-yl]methyl ester IUPAC Name: (2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: (2R)-4-methyl-2-(tosylamino)valeric acid [4-keto-2-(methylthio)-1H-pyrimidin-6-yl]methyl ester Formula: C19H25N3O5S2 MolecularWeight: 439.5489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OCC2=CC(=O)N=C(N2)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC(C)C)C(=O)OCC2=CC(=O)N=C(N2)SC

InChI

InChI=1S/C19H25N3O5S2/c1-12(2)9-16(22-29(25,26)15-7-5-13(3)6-8-15)18(24)27-11-14-10-17(23)21-19(20-14)28-4/h5-8,10,12,16,22H,9,11H2,1-4H3,(H,20,21,23)/t16-/m1/s1