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

Systemtic Name: (2-chloranyl-4,5-dimethyl-phenyl) 2-ethyl-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxidanylidene-pentanoate Openeye Name: (2-chloro-4,5-dimethyl-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-4,5-dimethylphenyl) ester IUPAC Name: (2-chloro-4,5-dimethylphenyl) 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-4,5-dimethyl-phenyl) ester Formula: C24H29ClO4S MolecularWeight: 449.00266

Click to see the large picture

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(=C2)C)C)Cl

Isomeric SMILES

CCC(C(=O)C(C)(C)SCC1=CC=C(C=C1)OC)C(=O)OC2=C(C=C(C(=C2)C)C)Cl

InChI

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