α-[(Acetylthio)methyl]-4-methyl-γ-oxobenzenebutanoic acid
CAS Registry Number®
101973-77-7
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CAS Name
α-[(Acetylthio)methyl]-4-methyl-γ-oxobenzenebutanoic acidMolecular Formula
C14H16O4SMolecular Mass
280.34Cite 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 ) (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
