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

Systemtic Name: (2-chloranyl-6-fluoranyl-4-methyl-phenyl) 2-ethyl-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxidanylidene-pentanoate Openeye Name: (2-chloro-6-fluoro-4-methyl-phenyl) 2-ethyl-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxo-pentanoate CAS Name: 2-ethyl-4-[(4-methoxyphenyl)methylthio]-4-methyl-3-oxopentanoic acid (2-chloro-6-fluoro-4-methylphenyl) ester IUPAC Name: (2-chloro-6-fluoro-4-methylphenyl) 2-ethyl-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxopentanoate Traditional Name: 2-ethyl-3-keto-4-methyl-4-(p-anisylthio)valeric acid (2-chloro-6-fluoro-4-methyl-phenyl) ester Formula: C23H26ClFO4S MolecularWeight: 452.966543

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C(C)(C)SCC1=CC=C(C=C1)OC)C(=O)OC2=C(C=C(C=C2Cl)C)F

Isomeric SMILES

CCC(C(=O)C(C)(C)SCC1=CC=C(C=C1)OC)C(=O)OC2=C(C=C(C=C2Cl)C)F

InChI

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