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

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [(1R)-2-(4-isopropylanilino)-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 [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-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-cumidino-2-keto-1-methyl-ethyl] ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-13(2)17-7-9-18(10-8-17)25-21(27)16(5)28-20(26)12-11-19-14(3)23-22(29-6)24-15(19)4/h7-10,13,16H,11-12H2,1-6H3,(H,25,27)/t16-/m1/s1