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

View entire compound with spectra: 2 NMR

methyl 4-{(E)-[({[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)hydrazono]methyl}benzoate
SpectraBase Compound ID 6sNaFCrGVap
InChI InChI=1S/C28H26N4O4S2/c1-17-7-13-20(14-8-17)32-26(34)24-21-5-3-4-6-22(21)38-25(24)30-28(32)37-16-23(33)31-29-15-18-9-11-19(12-10-18)27(35)36-2/h7-15H,3-6,16H2,1-2H3,(H,31,33)/b29-15+
InChIKey ZPJHXKZSLOMTPV-WKULSOCRSA-N
Mol Weight 546.66 g/mol
Molecular Formula C28H26N4O4S2
Exact Mass 546.139548 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3pRHM4j04NH
Name Methyl 4-{(E)-[({[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-yl]sulfanyl}acetyl)hydrazono]methyl}benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 546.139547677 u
Formula C28H26N4O4S2
InChI InChI=1S/C28H26N4O4S2/c1-17-7-13-20(14-8-17)32-26(34)24-21-5-3-4-6-22(21)38-25(24)30-28(32)37-16-23(33)31-29-15-18-9-11-19(12-10-18)27(35)36-2/h7-15H,3-6,16H2,1-2H3,(H,31,33)/b29-15+
InChIKey ZPJHXKZSLOMTPV-WKULSOCRSA-N
Molecular Weight 546.660 g/mol
SMILES N(\N=C\C1=CC=C(C(=O)OC)C=C1)C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C1=CC=C(C=C1)C)=O