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

Systemtic Name: ethyl 2-(2-chloranyl-4,5-dimethyl-phenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxidanylidene-pentanoate Openeye Name: ethyl 2-(2-chloro-4,5-dimethyl-phenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxo-pentanoate CAS Name: 2-(2-chloro-4,5-dimethylphenyl)-4-[(4-methoxyphenyl)methylthio]-4-methyl-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-(2-chloro-4,5-dimethylphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxopentanoate Traditional Name: 2-(2-chloro-4,5-dimethyl-phenyl)-3-keto-4-methyl-4-(p-anisylthio)valeric acid ethyl ester Formula: C24H29ClO4S MolecularWeight: 449.00266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClO4S/c1-7-29-23(27)21(19-12-15(2)16(3)13-20(19)25)22(26)24(4,5)30-14-17-8-10-18(28-6)11-9-17/h8-13,21H,7,14H2,1-6H3