(5-ethanoyl-2-ethoxy-phenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CCC2=C(N=C(N=C2C)SC)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)CCC2=C(N=C(N=C2C)SC)C

InChI

InChI=1S/C21H26N2O4S/c1-6-26-19-9-7-16(15(4)24)11-17(19)12-27-20(25)10-8-18-13(2)22-21(28-5)23-14(18)3/h7,9,11H,6,8,10,12H2,1-5H3