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3-thiazolidinepropanamide, N-(4-chlorophenyl)-5-[(4-ethoxyphenyl)methylene]-4-oxo-2-thioxo-, (5Z)-
SpectraBase Compound ID JO4iqW3sSuK
InChI InChI=1S/C21H19ClN2O3S2/c1-2-27-17-9-3-14(4-10-17)13-18-20(26)24(21(28)29-18)12-11-19(25)23-16-7-5-15(22)6-8-16/h3-10,13H,2,11-12H2,1H3,(H,23,25)/b18-13-
InChIKey AFJBDNLDXMXUPT-AQTBWJFISA-N
Mol Weight 446.97 g/mol
Molecular Formula C21H19ClN2O3S2
Exact Mass 446.052563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DSbLBKkvVNB
Name 3-Thiazolidinepropanamide, N-(4-chlorophenyl)-5-[(4-ethoxyphenyl)methylene]-4-oxo-2-thioxo-, (5Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.052562525 u
Formula C21H19ClN2O3S2
InChI InChI=1S/C21H19ClN2O3S2/c1-2-27-17-9-3-14(4-10-17)13-18-20(26)24(21(28)29-18)12-11-19(25)23-16-7-5-15(22)6-8-16/h3-10,13H,2,11-12H2,1H3,(H,23,25)/b18-13-
InChIKey AFJBDNLDXMXUPT-AQTBWJFISA-N
Molecular Weight 446.967 g/mol
SMILES N(C(CCN1C(S\C(C1=O)=C\C1=CC=C(C=C1)OCC)=S)=O)C1=CC=C(C=C1)Cl