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4-{(5Z)-5-[5-bromo-1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid

View entire compound with spectra: 1 NMR

4-{(5Z)-5-[5-bromo-1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
SpectraBase Compound ID 2C6U65IX9jx
InChI InChI=1S/C17H13BrN2O6S2/c18-8-3-4-10-9(6-8)13(15(25)20(10)7-12(23)24)14-16(26)19(17(27)28-14)5-1-2-11(21)22/h3-4,6H,1-2,5,7H2,(H,21,22)(H,23,24)/b14-13-
InChIKey ZQBWQDOEIBAZOP-YPKPFQOOSA-N
Mol Weight 485.32 g/mol
Molecular Formula C17H13BrN2O6S2
Exact Mass 483.939841 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IR0kH7ZpDSc
Name 4-{(5Z)-5-[5-bromo-1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
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/C17H13BrN2O6S2/c18-8-3-4-10-9(6-8)13(15(25)20(10)7-12(23)24)14-16(26)19(17(27)28-14)5-1-2-11(21)22/h3-4,6H,1-2,5,7H2,(H,21,22)(H,23,24)/b14-13-
InChIKey ZQBWQDOEIBAZOP-YPKPFQOOSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_6380
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: 123270; Labnumber: EX00116919; VK_ID: VK-006383
Synonyms 4-{5-[5-bromo-1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
Temperature 315 °C