2-[4-[(6-chloranylpyridin-3-yl)methylsulfanyl]-5-methoxy-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(6-chloranylpyridin-3-yl)methylsulfanyl]-5-methoxy-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[(6-chloro-3-pyridyl)methylsulfanyl]-5-methoxy-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[(6-chloro-3-pyridinyl)methylthio]-5-methoxy-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[(6-chloropyridin-3-yl)methylsulfanyl]-5-methoxy-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[(6-chloro-3-pyridyl)methylthio]-5-methoxy-2-methyl-phenoxy]acetic acid Formula: C16H16ClNO4S MolecularWeight: 353.82054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC(=O)O)OC)SCC2=CN=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1OCC(=O)O)OC)SCC2=CN=C(C=C2)Cl

InChI

InChI=1S/C16H16ClNO4S/c1-10-5-14(23-9-11-3-4-15(17)18-7-11)13(21-2)6-12(10)22-8-16(19)20/h3-7H,8-9H2,1-2H3,(H,19,20)