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

Systemtic Name: (2-bromanyl-4,6-dimethyl-phenyl) 2-ethyl-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxidanylidene-pentanoate Openeye Name: (2-bromo-4,6-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-bromo-4,6-dimethylphenyl) ester IUPAC Name: (2-bromo-4,6-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-bromo-4,6-dimethyl-phenyl) ester Formula: C24H29BrO4S MolecularWeight: 493.45366

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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=C2Br)C)C

Isomeric SMILES

CCC(C(=O)C(C)(C)SCC1=CC=C(C=C1)OC)C(=O)OC2=C(C=C(C=C2Br)C)C

InChI

InChI=1S/C24H29BrO4S/c1-7-19(23(27)29-21-16(3)12-15(2)13-20(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