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

Systemtic Name: methyl 2-[4-[3-[(5-bromanylpyridin-2-yl)-ethyl-amino]propylsulfanyl]-5-methoxy-2-methyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-[3-[(5-bromo-2-pyridyl)-ethyl-amino]propylsulfanyl]-5-methoxy-2-methyl-phenoxy]acetate CAS Name: 2-[4-[3-[(5-bromo-2-pyridinyl)-ethylamino]propylthio]-5-methoxy-2-methylphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[3-[(5-bromopyridin-2-yl)-ethylamino]propylsulfanyl]-5-methoxy-2-methylphenoxy]acetate Traditional Name: 2-[4-[3-[(5-bromo-2-pyridyl)-ethyl-amino]propylthio]-5-methoxy-2-methyl-phenoxy]acetic acid methyl ester Formula: C21H27BrN2O4S MolecularWeight: 483.41908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O4S/c1-5-24(20-8-7-16(22)13-23-20)9-6-10-29-19-11-15(2)17(12-18(19)26-3)28-14-21(25)27-4/h7-8,11-13H,5-6,9-10,14H2,1-4H3