Sulindac sulfide

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Systematic / IUPAC Name: {(1E)-5-Fluoro-2-methyl-1-[4-(methylsulfanyl)benzylidene]-1H-inden-3-yl}acetic acid

ID: Reference2198

Other Names: 3-Acetyl-5-fluoro-2-methyl-1-[4-(methylsulphanyl)benzylidene]-1H-indene;
5-Fluoro-2-methyl-1-{[4-(methylthio)phenyl]methylene}-1H-indene-3-acetic acid;
2-{3-[4-(Methylthio)benzylidene]-6-fluoro-2-methyl-3H-inden-1-yl}acetic acid

Formula: C20H17FO2S

Class: Therapeutics/Prescription Drugs

Spectral Data

Sulindac sulfide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/4/2015 3:47:49 PM
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Identificators

InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9+
InChI Key LFWHFZJPXXOYNR-RQZCQDPDSA-N
Canonical SMILES CC1=C(C2=C(C1=CC3=CC=C(C=C3)SC)C=CC(=C2)F)CC(=O)O
CAS 49627272
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Other Names 3-Acetyl-5-fluoro-2-methyl-1-[4-(methylsulphanyl)benzylidene]-1H-indene;
5-Fluoro-2-methyl-1-{[4-(methylthio)phenyl]methylene}-1H-indene-3-acetic acid;
2-{3-[4-(Methylthio)benzylidene]-6-fluoro-2-methyl-3H-inden-1-yl}acetic acid

In Other Databases

PubChem 6034911
ChemSpider 4786169