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ethyl 2-{[(2E)-2-cyano-3-(1-methyl-1H-indol-3-yl)-2-propenoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID FiroXet3tri
InChI InChI=1S/C25H25N3O3S/c1-4-31-25(30)22-19-10-9-15(2)11-21(19)32-24(22)27-23(29)16(13-26)12-17-14-28(3)20-8-6-5-7-18(17)20/h5-8,12,14-15H,4,9-11H2,1-3H3,(H,27,29)/b16-12+
InChIKey CCNQURKMAPXPBY-FOWTUZBSSA-N
Mol Weight 447.55 g/mol
Molecular Formula C25H25N3O3S
Exact Mass 447.161663 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ARRF8F0TAvn
Name ethyl 2-{[(2E)-2-cyano-3-(1-methyl-1H-indol-3-yl)-2-propenoyl]amino}-6-methyl-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/C25H25N3O3S/c1-4-31-25(30)22-19-10-9-15(2)11-21(19)32-24(22)27-23(29)16(13-26)12-17-14-28(3)20-8-6-5-7-18(17)20/h5-8,12,14-15H,4,9-11H2,1-3H3,(H,27,29)/b16-12+
InChIKey CCNQURKMAPXPBY-FOWTUZBSSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14699
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: C25998; Labnumber: MAT3-0030; SBI_ID: SBI-014702
Synonyms ethyl 2-{[2-cyano-3-(1-methyl-1H-indol-3-yl)-2-propenoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 318 °C