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Methyl (5E/Z)-5-[(3aS,6aR)-1,3-Dibenzyl-2-oxohexahydro-4H-thieno[3,4-d]imidazolidin-4-ylidene]pentanoate
SpectraBase Compound ID 6gOPp3KzpJl
InChI InChI=1S/C25H28N2O3S/c1-30-23(28)15-9-8-14-22-24-21(18-31-22)26(16-19-10-4-2-5-11-19)25(29)27(24)17-20-12-6-3-7-13-20/h2-7,10-14,21,24H,8-9,15-18H2,1H3/b22-14+/t21-,24-/m0/s1
InChIKey OUIKWAPRZXZNAO-JBZIOCGGSA-N
Mol Weight 436.57 g/mol
Molecular Formula C25H28N2O3S
Exact Mass 436.182064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bbg3uMPCvsb
Name Methyl (5E/Z)-5-[(3aS,6aR)-1,3-Dibenzyl-2-oxohexahydro-4H-thieno[3,4-d]imidazolidin-4-ylidene]pentanoate
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Formula C25H28N2O3S
InChI InChI=1S/C25H28N2O3S/c1-30-23(28)15-9-8-14-22-24-21(18-31-22)26(16-19-10-4-2-5-11-19)25(29)27(24)17-20-12-6-3-7-13-20/h2-7,10-14,21,24H,8-9,15-18H2,1H3/b22-14+/t21-,24-/m0/s1
InChIKey OUIKWAPRZXZNAO-JBZIOCGGSA-N
Molecular Weight 436.570 g/mol
SMILES C1(N([C@]2(CS\C([C@]2(N1Cc1ccccc1)[H])=C/CCCC(=O)OC)[H])Cc1ccccc1)=O
SPLASH splash10-052f-9523000000-70ab07b83bd632fdb72b
Source of Spectrum KC-61-9279-15
Synonyms Methyl (5E)-5-[(3aS,6aR)-1,3-dibenzyl-2-oxohexahydro-4H-thieno[3,4-d]imidazol-4-ylidene]pentanoate (5E)-5-[(3aS,6aR)-2-oxo-1,3-bis(phenylmethyl)-6,6a-dihydro-3aH-thieno[3,4-d]imidazol-4-ylidene]pentanoic acid methyl ester Methyl (5E)-5-[(3aS,6aR)-1,3-dibenzyl-2-oxo-6,6a-dihydro-3aH-thieno[3,4-d]imidazol-4-ylidene]pentanoate Methyl (5E)-5-[(3aS,6aR)-2-oxidanylidene-1,3-bis(phenylmethyl)-6,6a-dihydro-3aH-thieno[3,4-d]imidazol-4-ylidene]pentanoate
Wiley ID 1630584