2-[4-[(3E)-3-hydroxyimino-3-(4-methylsulfanylphenyl)propyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[(3E)-3-hydroxyimino-3-(4-methylsulfanylphenyl)propyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[(3E)-3-hydroxyimino-3-(4-methylsulfanylphenyl)propyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[(3E)-3-hydroxyimino-3-[4-(methylthio)phenyl]propyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[(3E)-3-hydroxyimino-3-(4-methylsulfanylphenyl)propyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[(3E)-3-hydroximino-3-[4-(methylthio)phenyl]propyl]-2,6-dimethyl-phenoxy]-2-methyl-propionic acid Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)(C)C(=O)O)C)CCC(=NO)C2=CC=C(C=C2)SC

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)(C)C(=O)O)C)CC/C(=N\O)/C2=CC=C(C=C2)SC

InChI

InChI=1S/C22H27NO4S/c1-14-12-16(13-15(2)20(14)27-22(3,4)21(24)25)6-11-19(23-26)17-7-9-18(28-5)10-8-17/h7-10,12-13,26H,6,11H2,1-5H3,(H,24,25)/b23-19+