2-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

SpectraBase Compound ID	A34CkF06pK6
InChI	InChI=1S/C21H22N2O4S/c22-20(25)19-14-5-3-1-2-4-6-17(14)28-21(19)23-18(24)10-8-13-7-9-15-16(11-13)27-12-26-15/h7-11H,1-6,12H2,(H2,22,25)(H,23,24)/b10-8+
InChIKey	MVXZBEFKBQMIPH-CSKARUKUSA-N Google Search
Mol Weight	398.48 g/mol
Molecular Formula	C21H22N2O4S
Exact Mass	398.130028 g/mol

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SpectraBase Spectrum ID	1zivsJSK3Mn
Name	2-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-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/C21H22N2O4S/c22-20(25)19-14-5-3-1-2-4-6-17(14)28-21(19)23-18(24)10-8-13-7-9-15-16(11-13)27-12-26-15/h7-11H,1-6,12H2,(H2,22,25)(H,23,24)/b10-8+
InChIKey	MVXZBEFKBQMIPH-CSKARUKUSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_12740
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/8031728; Labnumber: NSB0012942; UZI_ID: UZI-012744
Synonyms	2-{[3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Temperature	308 °C