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methyl 4-[({[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate

View entire compound with spectra: 1 NMR

methyl 4-[({[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate
SpectraBase Compound ID 6V4X11SRIeT
InChI InChI=1S/C27H25N3O5S2/c1-34-19-13-11-18(12-14-19)30-25(32)23-20-5-3-4-6-21(20)37-24(23)29-27(30)36-15-22(31)28-17-9-7-16(8-10-17)26(33)35-2/h7-14H,3-6,15H2,1-2H3,(H,28,31)
InChIKey ZVHCHLVIMOPJJX-UHFFFAOYSA-N
Mol Weight 535.63 g/mol
Molecular Formula C27H25N3O5S2
Exact Mass 535.123563 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GRdeXwWupRC
Name methyl 4-[({[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoate
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/C27H25N3O5S2/c1-34-19-13-11-18(12-14-19)30-25(32)23-20-5-3-4-6-21(20)37-24(23)29-27(30)36-15-22(31)28-17-9-7-16(8-10-17)26(33)35-2/h7-14H,3-6,15H2,1-2H3,(H,28,31)
InChIKey ZVHCHLVIMOPJJX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17115
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: D25534; Labnumber: GRES-04612; SBI_ID: SBI-017118
Temperature 308 °C