[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [2-(2-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C19H22FN3O3S MolecularWeight: 391.459683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=C(N=C(N=C2C)SC)C)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=C(N=C(N=C2C)SC)C)F

InChI

InChI=1S/C19H22FN3O3S/c1-11-5-7-16(15(20)9-11)23-17(24)10-26-18(25)8-6-14-12(2)21-19(27-4)22-13(14)3/h5,7,9H,6,8,10H2,1-4H3,(H,23,24)