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Ethyl N-[2-(4-methyl-5-carboxyethylthiazolo)]-5-methyl-1,3-oxathiol-2-imine-4-carboxylate

View entire compound with spectra: 1 MS (GC)

Ethyl N-[2-(4-methyl-5-carboxyethylthiazolo)]-5-methyl-1,3-oxathiol-2-imine-4-carboxylate
SpectraBase Compound ID cNodcg9ZyO
InChI InChI=1S/C14H16N2O5S2/c1-5-19-11(17)9-7(3)15-13(22-9)16-14-21-8(4)10(23-14)12(18)20-6-2/h5-6H2,1-4H3/b16-14-
InChIKey UBRUQCMNZJTSBG-PEZBUJJGSA-N
Mol Weight 356.41 g/mol
Molecular Formula C14H16N2O5S2
Exact Mass 356.050064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gz1lt3VzDe
Name Ethyl N-[2-(4-methyl-5-carboxyethylthiazolo)]-5-methyl-1,3-oxathiol-2-imine-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O5S2
InChI InChI=1S/C14H16N2O5S2/c1-5-19-11(17)9-7(3)15-13(22-9)16-14-21-8(4)10(23-14)12(18)20-6-2/h5-6H2,1-4H3/b16-14-
InChIKey UBRUQCMNZJTSBG-PEZBUJJGSA-N
Molecular Weight 356.411 g/mol
SMILES c1(sc(\N=C/2SC(C(=O)OCC)=C(O2)C)nc1C)C(=O)OCC
SPLASH splash10-0a4i-3029000000-968e05c28f2624ae3032
Source of Spectrum F-50-7259-15
Synonyms 3-(2-{[(2Z)-4-(ethoxycarbonyl)-5-methyl-1,3-oxathiol-2-ylidene]amino}-4-methyl-1,3-thiazol-5-yl)propanoic acid Ethyl N-[2-(4-methyl-5-ethyl-carboxy-thiazolo)]-5-methyl-1,3-oxathiol-2-imine-4-carboxylate
Wiley ID 1345524