2-[4-[[4-(4-fluorophenyl)phenyl]methylsulfanyl]-5-methoxy-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[4-(4-fluorophenyl)phenyl]methylsulfanyl]-5-methoxy-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[[4-(4-fluorophenyl)phenyl]methylsulfanyl]-5-methoxy-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[[4-(4-fluorophenyl)phenyl]methylthio]-5-methoxy-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[[4-(4-fluorophenyl)phenyl]methylsulfanyl]-5-methoxy-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[[4-(4-fluorophenyl)benzyl]thio]-5-methoxy-2-methyl-phenoxy]acetic acid Formula: C23H21FO4S MolecularWeight: 412.473843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC(=O)O)OC)SCC2=CC=C(C=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1OCC(=O)O)OC)SCC2=CC=C(C=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H21FO4S/c1-15-11-22(21(27-2)12-20(15)28-13-23(25)26)29-14-16-3-5-17(6-4-16)18-7-9-19(24)10-8-18/h3-12H,13-14H2,1-2H3,(H,25,26)