(1S,9R)-11-{3-[(5E)-5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

SpectraBase Compound ID	IjClOFGqmY9
InChI	InChI=1S/C26H27N3O5S2/c1-33-20-7-6-16(11-21(20)34-2)12-22-25(32)28(26(35)36-22)9-8-23(30)27-13-17-10-18(15-27)19-4-3-5-24(31)29(19)14-17/h3-7,11-12,17-18H,8-10,13-15H2,1-2H3/b22-12+
InChIKey	YYYRHORPWVAFHM-WSDLNYQXSA-N Google Search
Mol Weight	525.64 g/mol
Molecular Formula	C26H27N3O5S2
Exact Mass	525.139213 g/mol

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SpectraBase Spectrum ID	Dlm4fG8qAAl
Name	(1S,9R)-11-{3-[(5E)-5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
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/C26H27N3O5S2/c1-33-20-7-6-16(11-21(20)34-2)12-22-25(32)28(26(35)36-22)9-8-23(30)27-13-17-10-18(15-27)19-4-3-5-24(31)29(19)14-17/h3-7,11-12,17-18H,8-10,13-15H2,1-2H3/b22-12+
InChIKey	YYYRHORPWVAFHM-WSDLNYQXSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_13688
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: 200432; Labnumber: EX00086948; VK_ID: VK-013693
Synonyms	11-{3-[5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
Temperature	318 °C