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

Systemtic Name: methyl 4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyloxy]benzoate Openeye Name: methyl 4-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoyloxy]benzoate CAS Name: 4-[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyloxy]benzoate Traditional Name: 4-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoyloxy]benzoic acid methyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H20N2O4S/c1-11-15(12(2)20-18(19-11)25-4)9-10-16(21)24-14-7-5-13(6-8-14)17(22)23-3/h5-8H,9-10H2,1-4H3