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

Systemtic Name: methyl 2-(2-bromanyl-4,6-dimethyl-phenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxidanylidene-pentanoate Openeye Name: methyl 2-(2-bromo-4,6-dimethyl-phenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxo-pentanoate CAS Name: 2-(2-bromo-4,6-dimethylphenyl)-4-[(4-methoxyphenyl)methylthio]-4-methyl-3-oxopentanoic acid methyl ester IUPAC Name: methyl 2-(2-bromo-4,6-dimethylphenyl)-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-3-oxopentanoate Traditional Name: 2-(2-bromo-4,6-dimethyl-phenyl)-3-keto-4-methyl-4-(p-anisylthio)valeric acid methyl ester Formula: C23H27BrO4S MolecularWeight: 479.42708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)C(C(=O)C(C)(C)SCC2=CC=C(C=C2)OC)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)C(C(=O)C(C)(C)SCC2=CC=C(C=C2)OC)C(=O)OC)C

InChI

InChI=1S/C23H27BrO4S/c1-14-11-15(2)19(18(24)12-14)20(22(26)28-6)21(25)23(3,4)29-13-16-7-9-17(27-5)10-8-16/h7-12,20H,13H2,1-6H3