2-[4-[3-(5-bromanyl-3-methyl-1-benzothiophen-2-yl)propylsulfanyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-(5-bromanyl-3-methyl-1-benzothiophen-2-yl)propylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3-(5-bromo-3-methyl-benzothiophen-2-yl)propylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[3-(5-bromo-3-methyl-1-benzothiophen-2-yl)propylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3-(5-bromo-3-methyl-1-benzothiophen-2-yl)propylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[3-(5-bromo-3-methyl-benzothiophen-2-yl)propylthio]-2-methyl-phenoxy]acetic acid Formula: C21H21BrO3S2 MolecularWeight: 465.42364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCCCC2=C(C3=C(S2)C=CC(=C3)Br)C)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCCCC2=C(C3=C(S2)C=CC(=C3)Br)C)OCC(=O)O

InChI

InChI=1S/C21H21BrO3S2/c1-13-10-16(6-7-18(13)25-12-21(23)24)26-9-3-4-19-14(2)17-11-15(22)5-8-20(17)27-19/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,23,24)