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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

View entire compound with spectra: 1 NMR

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
SpectraBase Compound ID 1mLfIL8ys1C
InChI InChI=1S/C28H27N3O5S2/c1-2-34-19-10-8-18(9-11-19)31-27(33)25-20-5-3-4-6-23(20)38-26(25)30-28(31)37-16-24(32)29-17-7-12-21-22(15-17)36-14-13-35-21/h7-12,15H,2-6,13-14,16H2,1H3,(H,29,32)
InChIKey SEKDHXLVSAIHFW-UHFFFAOYSA-N
Mol Weight 549.66 g/mol
Molecular Formula C28H27N3O5S2
Exact Mass 549.139213 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JmFhuIIyHGc
Name N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
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/C28H27N3O5S2/c1-2-34-19-10-8-18(9-11-19)31-27(33)25-20-5-3-4-6-23(20)38-26(25)30-28(31)37-16-24(32)29-17-7-12-21-22(15-17)36-14-13-35-21/h7-12,15H,2-6,13-14,16H2,1H3,(H,29,32)
InChIKey SEKDHXLVSAIHFW-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17345
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: D25614; Labnumber: GRES-04704; SBI_ID: SBI-017348
Temperature 306 °C