2-[4-[[5-(4-chlorophenyl)-2-methyl-furan-3-yl]methylsulfanyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[5-(4-chlorophenyl)-2-methyl-furan-3-yl]methylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[[5-(4-chlorophenyl)-2-methyl-3-furyl]methylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[[5-(4-chlorophenyl)-2-methyl-3-furanyl]methylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[[5-(4-chlorophenyl)-2-methylfuran-3-yl]methylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[[5-(4-chlorophenyl)-2-methyl-3-furyl]methylthio]-2-methyl-phenoxy]acetic acid Formula: C21H19ClO4S MolecularWeight: 402.89116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC2=C(OC(=C2)C3=CC=C(C=C3)Cl)C)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC2=C(OC(=C2)C3=CC=C(C=C3)Cl)C)OCC(=O)O

InChI

InChI=1S/C21H19ClO4S/c1-13-9-18(7-8-19(13)25-11-21(23)24)27-12-16-10-20(26-14(16)2)15-3-5-17(22)6-4-15/h3-10H,11-12H2,1-2H3,(H,23,24)