ethyl 2-(2-chloranyl-5-methyl-phenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxidanylidene-pentanoate

Systemtic Name: ethyl 2-(2-chloranyl-5-methyl-phenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxidanylidene-pentanoate Openeye Name: ethyl 2-(2-chloro-5-methyl-phenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxo-pentanoate CAS Name: 2-(2-chloro-5-methylphenyl)-4-[(4-methoxyphenyl)methylthio]-4-methyl-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-(2-chloro-5-methylphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxopentanoate Traditional Name: 2-(2-chloro-5-methyl-phenyl)-3-keto-4-methyl-4-(p-anisylthio)valeric acid ethyl ester Formula: C23H27ClO4S MolecularWeight: 434.97608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C=CC(=C1)C)Cl)C(=O)C(C)(C)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C(C1=C(C=CC(=C1)C)Cl)C(=O)C(C)(C)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C23H27ClO4S/c1-6-28-22(26)20(18-13-15(2)7-12-19(18)24)21(25)23(3,4)29-14-16-8-10-17(27-5)11-9-16/h7-13,20H,6,14H2,1-5H3