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

Systemtic Name: [(2S)-1-[(2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [(1S)-2-(2-methoxy-5-methyl-anilino)-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-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxy-5-methylanilino)-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-keto-2-(2-methoxy-5-methyl-anilino)-1-methyl-ethyl] ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)OC(=O)CCC2=C(N=C(N=C2C)SC)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)OC(=O)CCC2=C(N=C(N=C2C)SC)C

InChI

InChI=1S/C21H27N3O4S/c1-12-7-9-18(27-5)17(11-12)24-20(26)15(4)28-19(25)10-8-16-13(2)22-21(29-6)23-14(16)3/h7,9,11,15H,8,10H2,1-6H3,(H,24,26)/t15-/m0/s1