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ethyl 6-ethyl-2-{[({[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 1 NMR

ethyl 6-ethyl-2-{[({[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID G1pOSh5nrjD
InChI InChI=1S/C33H35N3O4S2/c1-5-20-14-15-24-28(16-20)42-31(29(24)32(38)39-6-2)36-33(41)35-30(37)25-18-27(34-26-13-8-7-12-23(25)26)21-10-9-11-22(17-21)40-19(3)4/h7-13,17-20H,5-6,14-16H2,1-4H3,(H2,35,36,37,41)
InChIKey FQERNQKKRXVGQH-UHFFFAOYSA-N
Mol Weight 601.8 g/mol
Molecular Formula C33H35N3O4S2
Exact Mass 601.206899 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5NxUkRh3Th1
Name ethyl 6-ethyl-2-{[({[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-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/C33H35N3O4S2/c1-5-20-14-15-24-28(16-20)42-31(29(24)32(38)39-6-2)36-33(41)35-30(37)25-18-27(34-26-13-8-7-12-23(25)26)21-10-9-11-22(17-21)40-19(3)4/h7-13,17-20H,5-6,14-16H2,1-4H3,(H2,35,36,37,41)
InChIKey FQERNQKKRXVGQH-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7372
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: 9686206; UBI_ID: UBI-007375
Temperature 308 °C