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ethyl 2-{[(2E)-2-cyano-3-(1H-indol-3-yl)-2-propenoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID FPSAQwehpIK
InChI InChI=1S/C24H23N3O3S/c1-3-30-24(29)21-18-9-8-14(2)10-20(18)31-23(21)27-22(28)15(12-25)11-16-13-26-19-7-5-4-6-17(16)19/h4-7,11,13-14,26H,3,8-10H2,1-2H3,(H,27,28)/b15-11+
InChIKey CLPQHBYVBGNZSF-RVDMUPIBSA-N
Mol Weight 433.53 g/mol
Molecular Formula C24H23N3O3S
Exact Mass 433.146013 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6sfBdgzdmbI
Name ethyl 2-{[(2E)-2-cyano-3-(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/C24H23N3O3S/c1-3-30-24(29)21-18-9-8-14(2)10-20(18)31-23(21)27-22(28)15(12-25)11-16-13-26-19-7-5-4-6-17(16)19/h4-7,11,13-14,26H,3,8-10H2,1-2H3,(H,27,28)/b15-11+
InChIKey CLPQHBYVBGNZSF-RVDMUPIBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14698
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: C25996; Labnumber: MAT3-0028; SBI_ID: SBI-014701
Synonyms ethyl 2-{[2-cyano-3-(1H-indol-3-yl)-2-propenoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 318 °C