methyl 4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyloxymethyl]benzoate

Systemtic Name: methyl 4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyloxymethyl]benzoate Openeye Name: methyl 4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyloxymethyl]benzoate CAS Name: 4-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyloxymethyl]benzoate Traditional Name: 4-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoyloxymethyl]benzoic acid methyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H22N2O4S/c1-12-16(13(2)21-19(20-12)26-4)9-10-17(22)25-11-14-5-7-15(8-6-14)18(23)24-3/h5-8H,9-11H2,1-4H3