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

Systemtic Name: methyl 2-(2-chloranyl-5-methyl-phenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxidanylidene-pentanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H25ClO4S MolecularWeight: 420.9495

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClO4S/c1-14-6-11-18(23)17(12-14)19(21(25)27-5)20(24)22(2,3)28-13-15-7-9-16(26-4)10-8-15/h6-12,19H,13H2,1-5H3