2-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]-4-(methylthio)butyric acid Formula: C21H23Br2NO5S MolecularWeight: 561.28402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)C(=O)NC(CCSC)C(=O)O)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)C(=O)NC(CCSC)C(=O)O)Br)O

InChI

InChI=1S/C21H23Br2NO5S/c1-11(2)14-10-13(4-5-18(14)25)29-19-15(22)8-12(9-16(19)23)20(26)24-17(21(27)28)6-7-30-3/h4-5,8-11,17,25H,6-7H2,1-3H3,(H,24,26)(H,27,28)