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6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-(2-methylphenyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxamide

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6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-(2-methylphenyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxamide
SpectraBase Compound ID FAvPfYgRezH
InChI InChI=1S/C28H25ClN4O2S2/c1-16-8-4-5-10-21(16)33-27(35)25-18(3)31-28(19(14-30)26(25)23-12-7-13-36-23)37-15-24(34)32-22-11-6-9-20(29)17(22)2/h4-13,26,31H,15H2,1-3H3,(H,32,34)(H,33,35)
InChIKey DSBWHZTVPRFLEV-UHFFFAOYSA-N
Mol Weight 549.11 g/mol
Molecular Formula C28H25ClN4O2S2
Exact Mass 548.110746 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FCJ6SiBicog
Name 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-(2-methylphenyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxamide
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/C28H25ClN4O2S2/c1-16-8-4-5-10-21(16)33-27(35)25-18(3)31-28(19(14-30)26(25)23-12-7-13-36-23)37-15-24(34)32-22-11-6-9-20(29)17(22)2/h4-13,26,31H,15H2,1-3H3,(H,32,34)(H,33,35)
InChIKey DSBWHZTVPRFLEV-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_3348
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: NMR/10211919; Labnumber: KR-KSG1G29
Temperature 297 °C