ethyl (5Z)-5-{[2-({2-[((2Z)-5-(ethoxycarbonyl)-3-(4-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)amino]phenyl}disulfanyl)phenyl]imino}-4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate

SpectraBase Compound ID	JVDrKoF6yMQ
InChI	InChI=1S/C34H26N8O8S4/c1-3-49-31(43)29-37-39(21-13-17-23(18-14-21)41(45)46)33(51-29)35-25-9-5-7-11-27(25)53-54-28-12-8-6-10-26(28)36-34-40(38-30(52-34)32(44)50-4-2)22-15-19-24(20-16-22)42(47)48/h5-20H,3-4H2,1-2H3/b35-33-,36-34-
InChIKey	OAGKMTLRDCWNDY-SGRXOXICSA-N Google Search
Mol Weight	802.9 g/mol
Molecular Formula	C34H26N8O8S4
Exact Mass	802.075645 g/mol

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SpectraBase Spectrum ID	CGIkLiRTNK5
Name	ethyl (5Z)-5-{[2-({2-[((2Z)-5-(ethoxycarbonyl)-3-(4-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)amino]phenyl}disulfanyl)phenyl]imino}-4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-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/C34H26N8O8S4/c1-3-49-31(43)29-37-39(21-13-17-23(18-14-21)41(45)46)33(51-29)35-25-9-5-7-11-27(25)53-54-28-12-8-6-10-26(28)36-34-40(38-30(52-34)32(44)50-4-2)22-15-19-24(20-16-22)42(47)48/h5-20H,3-4H2,1-2H3/b35-33-,36-34-
InChIKey	OAGKMTLRDCWNDY-SGRXOXICSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6191
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: NMR/11242573; Labnumber: LP-0302507; IOH_ID: IOH-006192
Synonyms	ethyl 5-{[2-({2-[(5-(ethoxycarbonyl)-3-(4-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)amino]phenyl}disulfanyl)phenyl]imino}-4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate