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2-({(2E)-3-[5-(4-bromophenyl)-2-furyl]-2-cyano-2-propenoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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2-({(2E)-3-[5-(4-bromophenyl)-2-furyl]-2-cyano-2-propenoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID FGKFDoO0kwj
InChI InChI=1S/C24H20BrN3O3S/c1-13-2-8-18-20(10-13)32-24(21(18)22(27)29)28-23(30)15(12-26)11-17-7-9-19(31-17)14-3-5-16(25)6-4-14/h3-7,9,11,13H,2,8,10H2,1H3,(H2,27,29)(H,28,30)/b15-11+
InChIKey QKJSKFUCAXEKTM-RVDMUPIBSA-N
Mol Weight 510.41 g/mol
Molecular Formula C24H20BrN3O3S
Exact Mass 509.040876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I4JwmyUI0Ju
Name 2-({(2E)-3-[5-(4-bromophenyl)-2-furyl]-2-cyano-2-propenoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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/C24H20BrN3O3S/c1-13-2-8-18-20(10-13)32-24(21(18)22(27)29)28-23(30)15(12-26)11-17-7-9-19(31-17)14-3-5-16(25)6-4-14/h3-7,9,11,13H,2,8,10H2,1H3,(H2,27,29)(H,28,30)/b15-11+
InChIKey QKJSKFUCAXEKTM-RVDMUPIBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14697
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: C25994; Labnumber: MAT3-0026; SBI_ID: SBI-014700
Synonyms 2-({3-[5-(4-bromophenyl)-2-furyl]-2-cyano-2-propenoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Temperature 318 °C