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2-[[1-oxo-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

2-[[1-oxo-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID 8mE8yvw5chD
InChI InChI=1S/C22H24N4O3S3/c1-3-11-26-19(16-10-7-12-30-16)24-25-22(26)31-13-17(27)23-20-18(21(28)29-4-2)14-8-5-6-9-15(14)32-20/h3,7,10,12H,1,4-6,8-9,11,13H2,2H3,(H,23,27)
InChIKey FQUFOGSHJROMEC-UHFFFAOYSA-N
Mol Weight 488.64 g/mol
Molecular Formula C22H24N4O3S3
Exact Mass 488.101054 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5x2zhu2H4q1
Name benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[[4-(2-propenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.101054168 u
Formula C22H24N4O3S3
InChI InChI=1S/C22H24N4O3S3/c1-3-11-26-19(16-10-7-12-30-16)24-25-22(26)31-13-17(27)23-20-18(21(28)29-4-2)14-8-5-6-9-15(14)32-20/h3,7,10,12H,1,4-6,8-9,11,13H2,2H3,(H,23,27)
InChIKey FQUFOGSHJROMEC-UHFFFAOYSA-N
Molecular Weight 488.639 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6106
Solvent DMSO-d6
Source Vendor ID: NMR/10320259; Lab Info: SAD; Lab Number: 64