[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)CCC2=C(N=C(N=C2C)SC)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)CCC2=C(N=C(N=C2C)SC)C)C)C

InChI

InChI=1S/C21H26N2O3S/c1-12-9-14(3)18(10-13(12)2)19(24)11-26-20(25)8-7-17-15(4)22-21(27-6)23-16(17)5/h9-10H,7-8,11H2,1-6H3