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methyl 2-{[({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

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methyl 2-{[({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID LRWsMWnB6AS
InChI InChI=1S/C30H29N3O4S2/c1-17(2)16-37-19-9-6-8-18(14-19)24-15-22(20-10-4-5-12-23(20)31-24)27(34)32-30(38)33-28-26(29(35)36-3)21-11-7-13-25(21)39-28/h4-6,8-10,12,14-15,17H,7,11,13,16H2,1-3H3,(H2,32,33,34,38)
InChIKey CVULTCVWUHMLOY-UHFFFAOYSA-N
Mol Weight 559.7 g/mol
Molecular Formula C30H29N3O4S2
Exact Mass 559.159949 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L2eILGR9Vyq
Name methyl 2-{[({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-5,6-dihydro-4H-cyclopenta[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/C30H29N3O4S2/c1-17(2)16-37-19-9-6-8-18(14-19)24-15-22(20-10-4-5-12-23(20)31-24)27(34)32-30(38)33-28-26(29(35)36-3)21-11-7-13-25(21)39-28/h4-6,8-10,12,14-15,17H,7,11,13,16H2,1-3H3,(H2,32,33,34,38)
InChIKey CVULTCVWUHMLOY-UHFFFAOYSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10863
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: 1003205; UBI_ID: UBI-010866
Temperature 308 °C