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

Systemtic Name: ethyl 2-(6-chloranyl-2,3,4-trimethyl-phenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxidanylidene-pentanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H31ClO4S MolecularWeight: 463.02924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C=C(C(=C1C)C)C)Cl)C(=O)C(C)(C)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C(C1=C(C=C(C(=C1C)C)C)Cl)C(=O)C(C)(C)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C25H31ClO4S/c1-8-30-24(28)22(21-17(4)16(3)15(2)13-20(21)26)23(27)25(5,6)31-14-18-9-11-19(29-7)12-10-18/h9-13,22H,8,14H2,1-7H3