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ethyl 4-({4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoate
SpectraBase Compound ID 6icztKvCoKR
InChI InChI=1S/C23H21ClN2O4S2/c1-2-30-22(29)15-9-11-17(12-10-15)25-20(27)8-5-13-26-21(28)19(32-23(26)31)14-16-6-3-4-7-18(16)24/h3-4,6-7,9-12,14H,2,5,8,13H2,1H3,(H,25,27)/b19-14-
InChIKey PKLBPUWUEYXPAL-RGEXLXHISA-N
Mol Weight 489.0 g/mol
Molecular Formula C23H21ClN2O4S2
Exact Mass 488.063127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G0a6pcfzZ2Z
Name Ethyl 4-({4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoate
Comments Computed using HOSE algorithm
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Exact Mass 488.063127208 u
Formula C23H21ClN2O4S2
InChI InChI=1S/C23H21ClN2O4S2/c1-2-30-22(29)15-9-11-17(12-10-15)25-20(27)8-5-13-26-21(28)19(32-23(26)31)14-16-6-3-4-7-18(16)24/h3-4,6-7,9-12,14H,2,5,8,13H2,1H3,(H,25,27)/b19-14-
InChIKey PKLBPUWUEYXPAL-RGEXLXHISA-N
Molecular Weight 489.004 g/mol
SMILES N(C(CCCN1C(S\C(C1=O)=C\C=1C(Cl)=CC=CC1)=S)=O)C=1C=CC(C(=O)OCC)=CC1