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ethyl 2-({[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 2 NMR

ethyl 2-({[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 5uz2AW5k42h
InChI InChI=1S/C18H21N3O4S2/c1-3-25-17(24)15-11-6-4-5-7-12(11)27-16(15)20-14(23)9-26-18-19-10(2)8-13(22)21-18/h8H,3-7,9H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKey UDNXYHMUVDLLRO-UHFFFAOYSA-N
Mol Weight 407.5 g/mol
Molecular Formula C18H21N3O4S2
Exact Mass 407.097349 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9uxLlrCdcQB
Name ethyl 2-({[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}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/C18H21N3O4S2/c1-3-25-17(24)15-11-6-4-5-7-12(11)27-16(15)20-14(23)9-26-18-19-10(2)8-13(22)21-18/h8H,3-7,9H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKey UDNXYHMUVDLLRO-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31224
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: 1747832; SBI_ID: SBI-031228
Temperature 306 °C