2-[4-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-2-propyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-2-propyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[[2-(4-bromophenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-2-propyl-phenoxy]acetic acid CAS Name: 2-[4-[[2-(4-bromophenyl)-5-methyl-4-oxazolyl]methylthio]-2-propylphenoxy]acetic acid IUPAC Name: 2-[4-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-2-propylphenoxy]acetic acid Traditional Name: 2-[4-[[2-(4-bromophenyl)-5-methyl-oxazol-4-yl]methylthio]-2-propyl-phenoxy]acetic acid Formula: C22H22BrNO4S MolecularWeight: 476.38338

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)SCC2=C(OC(=N2)C3=CC=C(C=C3)Br)C)OCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)SCC2=C(OC(=N2)C3=CC=C(C=C3)Br)C)OCC(=O)O

InChI

InChI=1S/C22H22BrNO4S/c1-3-4-16-11-18(9-10-20(16)27-12-21(25)26)29-13-19-14(2)28-22(24-19)15-5-7-17(23)8-6-15/h5-11H,3-4,12-13H2,1-2H3,(H,25,26)