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ethyl 2-{[(2-pyrimidinylsulfanyl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID 5ILvcTv54lc
InChI InChI=1S/C16H17N3O3S2/c1-2-22-15(21)13-10-5-3-6-11(10)24-14(13)19-12(20)9-23-16-17-7-4-8-18-16/h4,7-8H,2-3,5-6,9H2,1H3,(H,19,20)
InChIKey IKXAUNIHAYCCID-UHFFFAOYSA-N
Mol Weight 363.45 g/mol
Molecular Formula C16H17N3O3S2
Exact Mass 363.071134 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8zfzNsnaE4u
Name ethyl 2-{[(2-pyrimidinylsulfanyl)acetyl]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/C16H17N3O3S2/c1-2-22-15(21)13-10-5-3-6-11(10)24-14(13)19-12(20)9-23-16-17-7-4-8-18-16/h4,7-8H,2-3,5-6,9H2,1H3,(H,19,20)
InChIKey IKXAUNIHAYCCID-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7626
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/1268840; Labnumber: COL5570; UZI_ID: UZI-007628
Temperature 318 °C