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2-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

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2-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
SpectraBase Compound ID Imr3WYlVEvQ
InChI InChI=1S/C19H17N3OS3/c1-10-7-12(8-16-17(23)21-19(24)26-16)11(2)22(10)18-14(9-20)13-5-3-4-6-15(13)25-18/h7-8H,3-6H2,1-2H3,(H,21,23,24)/b16-8+
InChIKey UEWTZZWGWCVSDZ-LZYBPNLTSA-N
Mol Weight 399.55 g/mol
Molecular Formula C19H17N3OS3
Exact Mass 399.053376 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AQPoOAOkKy0
Name 2-{2,5-dimethyl-3-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
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/C19H17N3OS3/c1-10-7-12(8-16-17(23)21-19(24)26-16)11(2)22(10)18-14(9-20)13-5-3-4-6-15(13)25-18/h7-8H,3-6H2,1-2H3,(H,21,23,24)/b16-8+
InChIKey UEWTZZWGWCVSDZ-LZYBPNLTSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9650
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: D58248; Labnumber: AREF-019919; SBI_ID: SBI-009653
Synonyms 2-{2,5-dimethyl-3-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Temperature 306 °C