methyl 2-(2-chloranyl-6-fluoranyl-4-methyl-phenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxidanylidene-pentanoate

Systemtic Name: methyl 2-(2-chloranyl-6-fluoranyl-4-methyl-phenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxidanylidene-pentanoate Openeye Name: methyl 2-(2-chloro-6-fluoro-4-methyl-phenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxo-pentanoate CAS Name: 2-(2-chloro-6-fluoro-4-methylphenyl)-4-[(4-methoxyphenyl)methylthio]-4-methyl-3-oxopentanoic acid methyl ester IUPAC Name: methyl 2-(2-chloro-6-fluoro-4-methylphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxopentanoate Traditional Name: 2-(2-chloro-6-fluoro-4-methyl-phenyl)-3-keto-4-methyl-4-(p-anisylthio)valeric acid methyl ester Formula: C22H24ClFO4S MolecularWeight: 438.939963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)C(C(=O)C(C)(C)SCC2=CC=C(C=C2)OC)C(=O)OC)F

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)C(C(=O)C(C)(C)SCC2=CC=C(C=C2)OC)C(=O)OC)F

InChI

InChI=1S/C22H24ClFO4S/c1-13-10-16(23)18(17(24)11-13)19(21(26)28-5)20(25)22(2,3)29-12-14-6-8-15(27-4)9-7-14/h6-11,19H,12H2,1-5H3