2-[4-[2-(4-butoxyphenyl)propylsulfanyl]-2-methyl-phenoxy]ethanoic acid; 1,3-oxazole

Systemtic Name: 2-[4-[2-(4-butoxyphenyl)propylsulfanyl]-2-methyl-phenoxy]ethanoic acid; 1,3-oxazole Openeye Name: 2-[4-[2-(4-butoxyphenyl)propylsulfanyl]-2-methyl-phenoxy]acetic acid; oxazole CAS Name: 2-[4-[2-(4-butoxyphenyl)propylthio]-2-methylphenoxy]acetic acid; oxazole IUPAC Name: 2-[4-[2-(4-butoxyphenyl)propylsulfanyl]-2-methylphenoxy]acetic acid; 1,3-oxazole Traditional Name: 2-[4-[2-(4-butoxyphenyl)propylthio]-2-methyl-phenoxy]acetic acid; oxazole Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C)CSC2=CC(=C(C=C2)OCC(=O)O)C.C1=COC=N1

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(C)CSC2=CC(=C(C=C2)OCC(=O)O)C.C1=COC=N1

InChI

InChI=1S/C22H28O4S.C3H3NO/c1-4-5-12-25-19-8-6-18(7-9-19)17(3)15-27-20-10-11-21(16(2)13-20)26-14-22(23)24;1-2-5-3-4-1/h6-11,13,17H,4-5,12,14-15H2,1-3H3,(H,23,24);1-3H