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

SpectraBase Compound ID	3LBykPSiIyL
InChI	InChI=1S/C24H27N3O3S/c1-2-3-6-13-30-18-11-9-16(10-12-18)14-17(15-25)23(29)27-24-21(22(26)28)19-7-4-5-8-20(19)31-24/h9-12,14H,2-8,13H2,1H3,(H2,26,28)(H,27,29)/b17-14+
InChIKey	IRZCOLZGZWNRPQ-SAPNQHFASA-N Google Search
Mol Weight	437.56 g/mol
Molecular Formula	C24H27N3O3S
Exact Mass	437.177313 g/mol

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SpectraBase Spectrum ID	AKFt1zp8u2j
Name	2-({(2E)-2-cyano-3-[4-(pentyloxy)phenyl]-2-propenoyl}amino)-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/C24H27N3O3S/c1-2-3-6-13-30-18-11-9-16(10-12-18)14-17(15-25)23(29)27-24-21(22(26)28)19-7-4-5-8-20(19)31-24/h9-12,14H,2-8,13H2,1H3,(H2,26,28)(H,27,29)/b17-14+
InChIKey	IRZCOLZGZWNRPQ-SAPNQHFASA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_5636
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: 121696; Labnumber: VLM0350; VK_ID: VK-005639
Synonyms	2-({2-cyano-3-[4-(pentyloxy)phenyl]-2-propenoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Temperature	318 °C