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

Systemtic Name: 2-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]-oxomethyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)benzoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]-3-mercapto-propionic acid Formula: C19H19Br2NO5S MolecularWeight: 533.23086

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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(CS)C(=O)O)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C19H19Br2NO5S/c1-9(2)12-7-11(3-4-16(12)23)27-17-13(20)5-10(6-14(17)21)18(24)22-15(8-28)19(25)26/h3-7,9,15,23,28H,8H2,1-2H3,(H,22,24)(H,25,26)