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N-[(5Z)-5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-methylbenzenesulfonamide
SpectraBase Compound ID 3TO7FQ4AQ9V
InChI InChI=1S/C18H16N2O5S3/c1-11-3-6-13(7-4-11)28(23,24)19-20-17(22)16(27-18(20)26)10-12-5-8-14(21)15(9-12)25-2/h3-10,19,21H,1-2H3/b16-10-
InChIKey DJRZIPLCKFJXHA-YBEGLDIGSA-N
Mol Weight 436.52 g/mol
Molecular Formula C18H16N2O5S3
Exact Mass 436.022135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GEtto1l5gAc
Name N-[(5Z)-5-(4-Hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-methylbenzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.022135140 u
Formula C18H16N2O5S3
InChI InChI=1S/C18H16N2O5S3/c1-11-3-6-13(7-4-11)28(23,24)19-20-17(22)16(27-18(20)26)10-12-5-8-14(21)15(9-12)25-2/h3-10,19,21H,1-2H3/b16-10-
InChIKey DJRZIPLCKFJXHA-YBEGLDIGSA-N
Molecular Weight 436.515 g/mol
SMILES N(S(C1=CC=C(C=C1)C)(=O)=O)N1C(\C(=C\C2=CC=C(C(=C2)OC)O)SC1=S)=O