(2E)-3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-propenenitrile

SpectraBase Compound ID	3f1CQO2eXTo
InChI	InChI=1S/C23H19N3O3S/c1-3-15-4-6-16(7-5-15)20-12-30-23(26-20)17(10-24)11-25-19-9-22-21(28-13-29-22)8-18(19)14(2)27/h4-9,11-12,25H,3,13H2,1-2H3/b17-11+
InChIKey	XRNJENRZEIQHIO-GZTJUZNOSA-N Google Search
Mol Weight	417.48 g/mol
Molecular Formula	C23H19N3O3S
Exact Mass	417.114713 g/mol

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SpectraBase Spectrum ID	dFZAkXeTia
Name	(2E)-3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-propenenitrile
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/C23H19N3O3S/c1-3-15-4-6-16(7-5-15)20-12-30-23(26-20)17(10-24)11-25-19-9-22-21(28-13-29-22)8-18(19)14(2)27/h4-9,11-12,25H,3,13H2,1-2H3/b17-11+
InChIKey	XRNJENRZEIQHIO-GZTJUZNOSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_4509
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: 120530; Labnumber: ULGAP-10-5374; VK_ID: VK-004510
Synonyms	3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-propenenitrile
Temperature	318 °C