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ethyl (2E)-2-[4-(cyanomethoxy)benzylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

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ethyl (2E)-2-[4-(cyanomethoxy)benzylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SpectraBase Compound ID HMKrg8XE8Gn
InChI InChI=1S/C25H21N3O4S/c1-3-31-24(30)21-16(2)27-25-28(22(21)18-7-5-4-6-8-18)23(29)20(33-25)15-17-9-11-19(12-10-17)32-14-13-26/h4-12,15,22H,3,14H2,1-2H3/b20-15+
InChIKey KHZKOAZLLALMEI-HMMYKYKNSA-N
Mol Weight 459.52 g/mol
Molecular Formula C25H21N3O4S
Exact Mass 459.125277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JJJo2hRXkOg
Name ethyl (2E)-2-[4-(cyanomethoxy)benzylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H21N3O4S/c1-3-31-24(30)21-16(2)27-25-28(22(21)18-7-5-4-6-8-18)23(29)20(33-25)15-17-9-11-19(12-10-17)32-14-13-26/h4-12,15,22H,3,14H2,1-2H3/b20-15+
InChIKey KHZKOAZLLALMEI-HMMYKYKNSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4839
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 9685157; UBI_ID: UBI-004840
Synonyms ethyl 2-[4-(cyanomethoxy)benzylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Temperature 313 °C