methyl 4-[2-bromanyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3-methyl-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[2-bromanyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]-3-methyl-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-2-bromo-phenyl]-3-methyl-4-oxo-butanoate CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-2-bromophenyl]-3-methyl-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-2-bromophenyl]-3-methyl-4-oxobutanoate Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-2-bromo-phenyl]-4-keto-3-methyl-butyric acid methyl ester Formula: C26H31BrO6S MolecularWeight: 551.48974

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC(=C(C=C2)C(=O)C(C)CC(=O)OC)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC(=C(C=C2)C(=O)C(C)CC(=O)OC)Br

InChI

InChI=1S/C26H31BrO6S/c1-5-7-21-23(11-10-19(17(3)28)26(21)31)33-12-6-13-34-18-8-9-20(22(27)15-18)25(30)16(2)14-24(29)32-4/h8-11,15-16,31H,5-7,12-14H2,1-4H3