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3-methyl-2-{(5Z)-5-[(1-methyl-1H-indol-3-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
SpectraBase Compound ID AQJS3xvCM83
InChI InChI=1S/C18H18N2O3S2/c1-10(2)15(17(22)23)20-16(21)14(25-18(20)24)8-11-9-19(3)13-7-5-4-6-12(11)13/h4-10,15H,1-3H3,(H,22,23)/b14-8-
InChIKey VQTCTJBYHCJMGX-ZSOIEALJSA-N
Mol Weight 374.47 g/mol
Molecular Formula C18H18N2O3S2
Exact Mass 374.075885 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LoW63TWIu1a
Name 3-methyl-2-{(5Z)-5-[(1-methyl-1H-indol-3-yl)methylene]-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/C18H18N2O3S2/c1-10(2)15(17(22)23)20-16(21)14(25-18(20)24)8-11-9-19(3)13-7-5-4-6-12(11)13/h4-10,15H,1-3H3,(H,22,23)/b14-8-
InChIKey VQTCTJBYHCJMGX-ZSOIEALJSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23716
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: D43241; Labnumber: GORPS-011-4937; SBI_ID: SBI-023720
Synonyms 3-methyl-2-{5-[(1-methyl-1H-indol-3-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
Temperature 318 °C