2-[2-[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]ethanoyl-methyl-amino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-[2-[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]ethanoyl-methyl-amino]-4-methylsulfanyl-butanoate Openeye Name: 2-[[2-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]acetyl]-methyl-amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]-1-oxoethyl]-methylamino]-4-(methylthio)butanoate IUPAC Name: 2-[[2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]acetyl]-methylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]acetyl]-methyl-amino]-4-(methylthio)butyrate Formula: C23H26Br2NO5S- MolecularWeight: 588.32924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)CC(=O)N(C)C(CCSC)C(=O)[O-])Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)CC(=O)N(C)C(CCSC)C(=O)[O-])Br)O

InChI

InChI=1S/C23H27Br2NO5S/c1-13(2)16-12-15(5-6-20(16)27)31-22-17(24)9-14(10-18(22)25)11-21(28)26(3)19(23(29)30)7-8-32-4/h5-6,9-10,12-13,19,27H,7-8,11H2,1-4H3,(H,29,30)/p-1