2-[4-[3-[(5-bromanylpyridin-2-yl)-ethyl-amino]propylsulfanyl]-5-methoxy-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-[(5-bromanylpyridin-2-yl)-ethyl-amino]propylsulfanyl]-5-methoxy-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3-[(5-bromo-2-pyridyl)-ethyl-amino]propylsulfanyl]-5-methoxy-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[3-[(5-bromo-2-pyridinyl)-ethylamino]propylthio]-5-methoxy-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3-[(5-bromopyridin-2-yl)-ethylamino]propylsulfanyl]-5-methoxy-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[3-[(5-bromo-2-pyridyl)-ethyl-amino]propylthio]-5-methoxy-2-methyl-phenoxy]acetic acid Formula: C20H25BrN2O4S MolecularWeight: 469.3925

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCSC1=C(C=C(C(=C1)C)OCC(=O)O)OC)C2=NC=C(C=C2)Br

Isomeric SMILES

CCN(CCCSC1=C(C=C(C(=C1)C)OCC(=O)O)OC)C2=NC=C(C=C2)Br

InChI

InChI=1S/C20H25BrN2O4S/c1-4-23(19-7-6-15(21)12-22-19)8-5-9-28-18-10-14(2)16(11-17(18)26-3)27-13-20(24)25/h6-7,10-12H,4-5,8-9,13H2,1-3H3,(H,24,25)