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(2S,3S)-3-benzyl-8-chloro-2-phenyl-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-4(3H)-one
SpectraBase Compound ID 5Yip5ICA7lL
InChI InChI=1S/C23H17ClN2OS/c24-17-11-12-19-20(14-17)28-23-25-21(16-9-5-2-6-10-16)18(22(27)26(19)23)13-15-7-3-1-4-8-15/h1-12,14,18,21H,13H2/t18-,21+/m0/s1
InChIKey QWVPWSAJEZRYAA-GHTZIAJQSA-N
Mol Weight 404.92 g/mol
Molecular Formula C23H17ClN2OS
Exact Mass 404.075012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56fgBlHswmM
Name (2S,3S)-3-benzyl-8-chloro-2-phenyl-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17ClN2OS
InChI InChI=1S/C23H17ClN2OS/c24-17-11-12-19-20(14-17)28-23-25-21(16-9-5-2-6-10-16)18(22(27)26(19)23)13-15-7-3-1-4-8-15/h1-12,14,18,21H,13H2/t18-,21+/m0/s1
InChIKey QWVPWSAJEZRYAA-GHTZIAJQSA-N
Literature Reference DOI 10.1039/c4cc08594a
Molecular Weight 404.915 g/mol
SMILES c1c(cc2SC=3N(c2c1)C([C@@](Cc1ccccc1)([C@@](c1ccccc1)(N3)[H])[H])=O)Cl
SPLASH splash10-00di-3090100000-268b59a20669ec8cbc0f
Source of Spectrum KD-51-1263/SM-3j
Wiley ID 1754955