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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C=C(C=C1Br)C)C)C(=O)C(C)(C)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C(C1=C(C=C(C=C1Br)C)C)C(=O)C(C)(C)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C24H29BrO4S/c1-7-29-23(27)21(20-16(3)12-15(2)13-19(20)25)22(26)24(4,5)30-14-17-8-10-18(28-6)11-9-17/h8-13,21H,7,14H2,1-6H3