2-[2-methyl-5-(1,3-oxazol-4-ylmethylsulfanyl)-4-(4-phenylmethoxyphenyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-5-(1,3-oxazol-4-ylmethylsulfanyl)-4-(4-phenylmethoxyphenyl)phenoxy]ethanoic acid Openeye Name: 2-[4-(4-benzyloxyphenyl)-2-methyl-5-(oxazol-4-ylmethylsulfanyl)phenoxy]acetic acid CAS Name: 2-[2-methyl-5-(4-oxazolylmethylthio)-4-(4-phenylmethoxyphenyl)phenoxy]acetic acid IUPAC Name: 2-[2-methyl-5-(1,3-oxazol-4-ylmethylsulfanyl)-4-(4-phenylmethoxyphenyl)phenoxy]acetic acid Traditional Name: 2-[4-(4-benzoxyphenyl)-2-methyl-5-(oxazol-4-ylmethylthio)phenoxy]acetic acid Formula: C26H23NO5S MolecularWeight: 461.52952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3)SCC4=COC=N4)OCC(=O)O

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3)SCC4=COC=N4)OCC(=O)O

InChI

InChI=1S/C26H23NO5S/c1-18-11-23(20-7-9-22(10-8-20)31-13-19-5-3-2-4-6-19)25(12-24(18)32-15-26(28)29)33-16-21-14-30-17-27-21/h2-12,14,17H,13,15-16H2,1H3,(H,28,29)