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2-methoxy-N-[(5Z)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]benzamide
SpectraBase Compound ID HaNymtUGniV
InChI InChI=1S/C21H20N2O6S2/c1-26-14-8-6-5-7-13(14)19(24)22-23-20(25)17(31-21(23)30)11-12-9-15(27-2)18(29-4)16(10-12)28-3/h5-11H,1-4H3,(H,22,24)/b17-11-
InChIKey XAJVBBOFBBUCEH-BOPFTXTBSA-N
Mol Weight 460.52 g/mol
Molecular Formula C21H20N2O6S2
Exact Mass 460.076279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LGWKAlopEvp
Name 2-Methoxy-N-[(5Z)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.076278714 u
Formula C21H20N2O6S2
InChI InChI=1S/C21H20N2O6S2/c1-26-14-8-6-5-7-13(14)19(24)22-23-20(25)17(31-21(23)30)11-12-9-15(27-2)18(29-4)16(10-12)28-3/h5-11H,1-4H3,(H,22,24)/b17-11-
InChIKey XAJVBBOFBBUCEH-BOPFTXTBSA-N
Molecular Weight 460.519 g/mol
SMILES N(N1C(\C(=C\C2=CC(OC)=C(C(=C2)OC)OC)SC1=S)=O)C(C=1C(OC)=CC=CC1)=O