Ethyl 5-({[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio}methyl)isoxazole-3-carboxylate

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Systematic / IUPAC Name: Ethyl 5-({[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)-1,2-oxazole-3-carboxylate

ID: Reference4557

Other Names: 3-Isoxazolecarboxylic acid, 5-({[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio}methyl)-, ethyl ester

Formula: C10H11N3O3S3

Spectral Data

Ethyl 5-({[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio}methyl)isoxazole-3-carboxylate 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 Orbitrap
No. of Spectral Trees 2
No. of Spectra 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/14/2016 11:13:12 AM
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Identificators

InChI InChI=1S/C10H11N3O3S3/c1-3-15-8(14)7-4-6(16-13-7)5-18-10-12-11-9(17-2)19-10/h4H,3,5H2,1-2H3
InChI Key WMSYFVFZQPSZHD-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C1=NOC(=C1)CSC2=NN=C(S2)SC
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Other Names 3-Isoxazolecarboxylic acid, 5-({[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio}methyl)-, ethyl ester

In Other Databases

PubChem 2744265
ChemSpider 2025765