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ethyl 2-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID AqoJfmSCzdT
InChI InChI=1S/C20H19N5O3S2/c1-2-28-20(27)16-13-5-3-4-6-14(13)30-19(16)24-15(26)10-29-18-12(9-22)7-11(8-21)17(23)25-18/h7H,2-6,10H2,1H3,(H2,23,25)(H,24,26)
InChIKey SMXZCZNEDGESJD-UHFFFAOYSA-N
Mol Weight 441.52 g/mol
Molecular Formula C20H19N5O3S2
Exact Mass 441.092932 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9lmpowhGW62
Name ethyl 2-({[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]acetyl}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/C20H19N5O3S2/c1-2-28-20(27)16-13-5-3-4-6-14(13)30-19(16)24-15(26)10-29-18-12(9-22)7-11(8-21)17(23)25-18/h7H,2-6,10H2,1H3,(H2,23,25)(H,24,26)
InChIKey SMXZCZNEDGESJD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_19003
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: UZI/6077157; Labnumber: UTC-0000108; UZI_ID: UZI-019010
Temperature 318 °C