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(2E)-2-cyano-2-[(5E)-5-(4-methoxybenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)ethanamide
SpectraBase Compound ID 2GUcAs76RgN
InChI InChI=1S/C28H23N3O3S/c1-19(21-9-5-3-6-10-21)30-26(32)24(18-29)28-31(22-11-7-4-8-12-22)27(33)25(35-28)17-20-13-15-23(34-2)16-14-20/h3-17,19H,1-2H3,(H,30,32)/b25-17+,28-24+
InChIKey FXOMQYYLBOAIJY-QSFUWUNISA-N
Mol Weight 481.57 g/mol
Molecular Formula C28H23N3O3S
Exact Mass 481.146013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HNMmBwaiYwQ
Name (2E)-2-Cyano-2-[(5E)-5-(4-methoxybenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)ethanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.146012784 u
Formula C28H23N3O3S
InChI InChI=1S/C28H23N3O3S/c1-19(21-9-5-3-6-10-21)30-26(32)24(18-29)28-31(22-11-7-4-8-12-22)27(33)25(35-28)17-20-13-15-23(34-2)16-14-20/h3-17,19H,1-2H3,(H,30,32)/b25-17+,28-24+
InChIKey FXOMQYYLBOAIJY-QSFUWUNISA-N
Molecular Weight 481.570 g/mol
SMILES N(C(\C(=C/1N(C(=O)\C(S1)=C/C1=CC=C(C=C1)OC)C1=CC=CC=C1)C#N)=O)C(C1=CC=CC=C1)C