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

Systemtic Name: [4-(4-fluorophenyl)carbonylphenyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [4-(4-fluorobenzoyl)phenyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [4-[(4-fluorophenyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-fluorobenzoyl)phenyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [4-(4-fluorobenzoyl)phenyl] ester Formula: C23H21FN2O3S MolecularWeight: 424.487843

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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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C23H21FN2O3S/c1-14-20(15(2)26-23(25-14)30-3)12-13-21(27)29-19-10-6-17(7-11-19)22(28)16-4-8-18(24)9-5-16/h4-11H,12-13H2,1-3H3