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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JDnqDrNFrw9
Name ethyl 4-({4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
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
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9729
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 128436; Labnumber: EX00110779; VK_ID: VK-009733
Synonyms ethyl 4-({4-[5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoate
Temperature 318 °C