α-[(Acetylthio)methyl]-4-methyl-γ-oxobenzenebutanoic acid

CAS Registry Number®

101973-77-7

CAS Name

α-[(Acetylthio)methyl]-4-methyl-γ-oxobenzenebutanoic acid

Molecular Formula

C14H16O4S

Molecular Mass

280.34

Cite this Page

α-[(Acetylthio)methyl]-4-methyl-γ-oxobenzenebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=101973-77-7 (retrieved 2024-11-21) (CAS RN: 101973-77-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    97 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H16O4S/c1-9-3-5-11(6-4-9)13(16)7-12(14(17)18)8-19-10(2)15/h3-6,12H,7-8H2,1-2H3,(H,17,18)

InChIKey

InChIKey=YRSSFEUQNAXQMX-UHFFFAOYSA-N

SMILES

C(CC(CSC(C)=O)C(O)=O)(=O)C1=CC=C(C)C=C1

Canonical SMILES

O=C(SCC(C(=O)O)CC(=O)C1=CC=C(C=C1)C)C

Other Names for this Substance

  • Benzenebutanoic acid, α-[(acetylthio)methyl]-4-methyl-γ-oxo-
  • α-[(Acetylthio)methyl]-4-methyl-γ-oxobenzenebutanoic acid
  • KE 298
  • Esonarimod
  • 2-Acetylthiomethyl-3-(4-methylbenzoyl)propionic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration