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ethyl 2-({4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 3W8oqyA8ryg
InChI InChI=1S/C25H25ClN2O4S3/c1-2-32-24(31)21-16-9-4-6-11-18(16)34-22(21)27-20(29)12-7-13-28-23(30)19(35-25(28)33)14-15-8-3-5-10-17(15)26/h3,5,8,10,14H,2,4,6-7,9,11-13H2,1H3,(H,27,29)/b19-14-
InChIKey KHCMUYILZAQRCP-RGEXLXHISA-N
Mol Weight 549.12 g/mol
Molecular Formula C25H25ClN2O4S3
Exact Mass 548.066499 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6ewbrSLC6HT
Name ethyl 2-({4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C25H25ClN2O4S3/c1-2-32-24(31)21-16-9-4-6-11-18(16)34-22(21)27-20(29)12-7-13-28-23(30)19(35-25(28)33)14-15-8-3-5-10-17(15)26/h3,5,8,10,14H,2,4,6-7,9,11-13H2,1H3,(H,27,29)/b19-14-
InChIKey KHCMUYILZAQRCP-RGEXLXHISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9753
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: 128470; Labnumber: EX00110825; VK_ID: VK-009757
Synonyms ethyl 2-({4-[5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 318 °C