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

View entire compound with spectra: 2 NMR

2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
SpectraBase Compound ID 1ltvLQ2P1Xq
InChI InChI=1S/C26H24BrN3O3S2/c1-2-33-20-9-5-4-8-19(20)28-22(31)15-34-26-29-24-23(18-7-3-6-10-21(18)35-24)25(32)30(26)17-13-11-16(27)12-14-17/h4-5,8-9,11-14H,2-3,6-7,10,15H2,1H3,(H,28,31)
InChIKey CEAIQGKCRMVYCW-UHFFFAOYSA-N
Mol Weight 570.52 g/mol
Molecular Formula C26H24BrN3O3S2
Exact Mass 569.044247 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LU6IiZminmH
Name 2-{[3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-yl]sulfanyl}-N-(2-ethoxyphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 569.044246990 u
Formula C26H24BrN3O3S2
InChI InChI=1S/C26H24BrN3O3S2/c1-2-33-20-9-5-4-8-19(20)28-22(31)15-34-26-29-24-23(18-7-3-6-10-21(18)35-24)25(32)30(26)17-13-11-16(27)12-14-17/h4-5,8-9,11-14H,2-3,6-7,10,15H2,1H3,(H,28,31)
InChIKey CEAIQGKCRMVYCW-UHFFFAOYSA-N
Molecular Weight 570.520 g/mol
SMILES N(C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C1=CC=C(C=C1)Br)=O)C1=C(OCC)C=CC=C1