[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H23N3O3S MolecularWeight: 325.42642

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)CCC1=C(N=C(N=C1C)SC)C

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)CCC1=C(N=C(N=C1C)SC)C

InChI

InChI=1S/C15H23N3O3S/c1-6-16-14(20)11(4)21-13(19)8-7-12-9(2)17-15(22-5)18-10(12)3/h11H,6-8H2,1-5H3,(H,16,20)/t11-/m0/s1