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

View entire compound with spectra: 2 NMR

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
SpectraBase Compound ID 4hf6ToNCrru
InChI InChI=1S/C26H21ClF3N3O3S2/c1-36-16-9-7-15(8-10-16)33-24(35)22-17-4-2-3-5-20(17)38-23(22)32-25(33)37-13-21(34)31-19-12-14(26(28,29)30)6-11-18(19)27/h6-12H,2-5,13H2,1H3,(H,31,34)
InChIKey XSYDMTJTFGNXIO-UHFFFAOYSA-N
Mol Weight 580.04 g/mol
Molecular Formula C26H21ClF3N3O3S2
Exact Mass 579.066496 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DBS8lhfLCOp
Name N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-yl]sulfanyl}acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 579.066496082 u
Formula C26H21ClF3N3O3S2
InChI InChI=1S/C26H21ClF3N3O3S2/c1-36-16-9-7-15(8-10-16)33-24(35)22-17-4-2-3-5-20(17)38-23(22)32-25(33)37-13-21(34)31-19-12-14(26(28,29)30)6-11-18(19)27/h6-12H,2-5,13H2,1H3,(H,31,34)
InChIKey XSYDMTJTFGNXIO-UHFFFAOYSA-N
Molecular Weight 580.040 g/mol
SMILES N(C=1C=C(C(F)(F)F)C=CC1Cl)C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C1=CC=C(C=C1)OC)=O