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2-{(5Z)-5-[(1-methyl-1H-indol-3-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
SpectraBase Compound ID DEV87n8fc1b
InChI InChI=1S/C17H16N2O3S2/c1-3-12(16(21)22)19-15(20)14(24-17(19)23)8-10-9-18(2)13-7-5-4-6-11(10)13/h4-9,12H,3H2,1-2H3,(H,21,22)/b14-8-
InChIKey MSKYNGWPKUVWHF-ZSOIEALJSA-N
Mol Weight 360.45 g/mol
Molecular Formula C17H16N2O3S2
Exact Mass 360.060235 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JHk3DK0w3Dq
Name 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/C17H16N2O3S2/c1-3-12(16(21)22)19-15(20)14(24-17(19)23)8-10-9-18(2)13-7-5-4-6-11(10)13/h4-9,12H,3H2,1-2H3,(H,21,22)/b14-8-
InChIKey MSKYNGWPKUVWHF-ZSOIEALJSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23712
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: D43237; Labnumber: GORPS-008-4937; SBI_ID: SBI-023716
Synonyms 2-{5-[(1-methyl-1H-indol-3-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
Temperature 318 °C