ethyl 2-({[2-(4-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

SpectraBase Compound ID	Ibi12P375ek
InChI	InChI=1S/C30H30N2O4S/c1-3-36-30(34)27-22-11-6-4-5-7-13-26(22)37-29(27)32-28(33)23-18-25(19-14-16-20(35-2)17-15-19)31-24-12-9-8-10-21(23)24/h8-10,12,14-18H,3-7,11,13H2,1-2H3,(H,32,33)
InChIKey	ZVYHAAAFUWNTAB-UHFFFAOYSA-N Google Search
Mol Weight	514.64 g/mol
Molecular Formula	C30H30N2O4S
Exact Mass	514.192629 g/mol

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SpectraBase Spectrum ID	Bg83EmJuU1m
Name	ethyl 2-({[2-(4-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-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/C30H30N2O4S/c1-3-36-30(34)27-22-11-6-4-5-7-13-26(22)37-29(27)32-28(33)23-18-25(19-14-16-20(35-2)17-15-19)31-24-12-9-8-10-21(23)24/h8-10,12,14-18H,3-7,11,13H2,1-2H3,(H,32,33)
InChIKey	ZVYHAAAFUWNTAB-UHFFFAOYSA-N
NMR Offset	14.4793
NMR Spectrometer Frequency	500.138
Observed nucleus	1H
Origin	1H_UZI_26187_13936
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/8145367; Labnumber: NSB0048603; UZI_ID: UZI-013940
Temperature	313 °C