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methyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate

View entire compound with spectra: 1 NMR

methyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate
SpectraBase Compound ID LqSCz58hiht
InChI InChI=1S/C22H17BrClN3O4S/c1-31-22(30)19-18(12-2-6-14(24)7-3-12)16(10-25)21(27-20(19)29)32-11-17(28)26-15-8-4-13(23)5-9-15/h2-9,18-19H,11H2,1H3,(H,26,28)(H,27,29)
InChIKey BVLDTURRDAGFCZ-UHFFFAOYSA-N
Mol Weight 534.81 g/mol
Molecular Formula C22H17BrClN3O4S
Exact Mass 532.981168 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B8NTeOSDJsO
Name methyl 6-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate
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/C22H17BrClN3O4S/c1-31-22(30)19-18(12-2-6-14(24)7-3-12)16(10-25)21(27-20(19)29)32-11-17(28)26-15-8-4-13(23)5-9-15/h2-9,18-19H,11H2,1H3,(H,26,28)(H,27,29)
InChIKey BVLDTURRDAGFCZ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_4334
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/8325152; Labnumber: KR-0002698; IOH_ID: IOH-004335
Temperature 303 °C