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6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-phenyl-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-phenyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxamide
SpectraBase Compound ID 7N5ffHc4DXD
InChI InChI=1S/C27H23ClN4O2S2/c1-16-20(28)10-6-11-21(16)32-23(33)15-36-27-19(14-29)25(22-12-7-13-35-22)24(17(2)30-27)26(34)31-18-8-4-3-5-9-18/h3-13,25,30H,15H2,1-2H3,(H,31,34)(H,32,33)
InChIKey QZDVZXIEAUGERQ-UHFFFAOYSA-N
Mol Weight 535.08 g/mol
Molecular Formula C27H23ClN4O2S2
Exact Mass 534.095096 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GlllAmNI1Yw
Name 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-phenyl-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/C27H23ClN4O2S2/c1-16-20(28)10-6-11-21(16)32-23(33)15-36-27-19(14-29)25(22-12-7-13-35-22)24(17(2)30-27)26(34)31-18-8-4-3-5-9-18/h3-13,25,30H,15H2,1-2H3,(H,31,34)(H,32,33)
InChIKey QZDVZXIEAUGERQ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_3343
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/10211911; Labnumber: KR-KSG1G21
Temperature 303 °C