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6-{[2-(3-chloroanilino)-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-chloroanilino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-(2-methylphenyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxamide
SpectraBase Compound ID KEVCwJKaqB9
InChI InChI=1S/C27H23ClN4O2S2/c1-16-7-3-4-10-21(16)32-26(34)24-17(2)30-27(20(14-29)25(24)22-11-6-12-35-22)36-15-23(33)31-19-9-5-8-18(28)13-19/h3-13,25,30H,15H2,1-2H3,(H,31,33)(H,32,34)
InChIKey LJEUVOYBADFUCW-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 8rzp27R3CfM
Name 6-{[2-(3-chloroanilino)-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/C27H23ClN4O2S2/c1-16-7-3-4-10-21(16)32-26(34)24-17(2)30-27(20(14-29)25(24)22-11-6-12-35-22)36-15-23(33)31-19-9-5-8-18(28)13-19/h3-13,25,30H,15H2,1-2H3,(H,31,33)(H,32,34)
InChIKey LJEUVOYBADFUCW-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_3352
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/10211932; Labnumber: KR-KSG1G43
Temperature 297 °C