[4-(phenylcarbonyl)phenyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [4-(phenylcarbonyl)phenyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: (4-benzoylphenyl) 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid (4-benzoylphenyl) ester IUPAC Name: (4-benzoylphenyl) 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid (4-benzoylphenyl) ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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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)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H22N2O3S/c1-15-20(16(2)25-23(24-15)29-3)13-14-21(26)28-19-11-9-18(10-12-19)22(27)17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3