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ethyl 5-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-cyano-3-methyl-2-thiophenecarboxylate
SpectraBase Compound ID 3mFIYAYePEo
InChI InChI=1S/C18H13ClN2O3S2/c1-3-24-18(23)14-9(2)11(8-20)17(26-14)21-16(22)15-13(19)10-6-4-5-7-12(10)25-15/h4-7H,3H2,1-2H3,(H,21,22)
InChIKey TZYCBQPUFUYHJY-UHFFFAOYSA-N
Mol Weight 404.89 g/mol
Molecular Formula C18H13ClN2O3S2
Exact Mass 404.005612 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HYtYqbBY4ON
Name ethyl 5-{[(3-chloro-1-benzothien-2-yl)carbonyl]amino}-4-cyano-3-methyl-2-thiophenecarboxylate
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/C18H13ClN2O3S2/c1-3-24-18(23)14-9(2)11(8-20)17(26-14)21-16(22)15-13(19)10-6-4-5-7-12(10)25-15/h4-7H,3H2,1-2H3,(H,21,22)
InChIKey TZYCBQPUFUYHJY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2860
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/8067521; UBI_ID: UBI-002861
Temperature 313 °C