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

Systemtic Name: ethyl 2-(2-chloranyl-6-fluoranyl-4-methyl-phenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxidanylidene-pentanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H26ClFO4S MolecularWeight: 452.966543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C=C(C=C1Cl)C)F)C(=O)C(C)(C)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C(C1=C(C=C(C=C1Cl)C)F)C(=O)C(C)(C)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C23H26ClFO4S/c1-6-29-22(27)20(19-17(24)11-14(2)12-18(19)25)21(26)23(3,4)30-13-15-7-9-16(28-5)10-8-15/h7-12,20H,6,13H2,1-5H3