[(2R)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [(2R)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [(1R)-1-methyl-2-(2-naphthylamino)-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 [(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(naphthalen-2-ylamino)-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 [(1R)-2-keto-1-methyl-2-(2-naphthylamino)ethyl] ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC(C)C(=O)NC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)O[C@H](C)C(=O)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H25N3O3S/c1-14-20(15(2)25-23(24-14)30-4)11-12-21(27)29-16(3)22(28)26-19-10-9-17-7-5-6-8-18(17)13-19/h5-10,13,16H,11-12H2,1-4H3,(H,26,28)/t16-/m1/s1