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

Systemtic Name: methyl 2-(6-chloranyl-2,3,4-trimethyl-phenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxidanylidene-pentanoate Openeye Name: methyl 2-(6-chloro-2,3,4-trimethyl-phenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxo-pentanoate CAS Name: 2-(6-chloro-2,3,4-trimethylphenyl)-4-[(4-methoxyphenyl)methylthio]-4-methyl-3-oxopentanoic acid methyl ester IUPAC Name: methyl 2-(6-chloro-2,3,4-trimethylphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxopentanoate Traditional Name: 2-(6-chloro-2,3,4-trimethyl-phenyl)-3-keto-4-methyl-4-(p-anisylthio)valeric acid methyl ester Formula: C24H29ClO4S MolecularWeight: 449.00266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)C)C(C(=O)C(C)(C)SCC2=CC=C(C=C2)OC)C(=O)OC)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1C)C)C(C(=O)C(C)(C)SCC2=CC=C(C=C2)OC)C(=O)OC)Cl

InChI

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