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(5Z)-5-[(3aS,6aR)-1,3-dibenzyl-2-keto-6,6a-dihydro-3aH-thien[3,4-d]imidazol-4-ylidene]valeric acid
SpectraBase Compound ID 4OxPqhrCqpY
InChI InChI=1S/C24H26N2O3S/c27-22(28)14-8-7-13-21-23-20(17-30-21)25(15-18-9-3-1-4-10-18)24(29)26(23)16-19-11-5-2-6-12-19/h1-6,9-13,20,23H,7-8,14-17H2,(H,27,28)/b21-13-/t20-,23-/m0/s1
InChIKey GQKNDJQLKMPRRK-GHWJVACZSA-N
Mol Weight 422.54 g/mol
Molecular Formula C24H26N2O3S
Exact Mass 422.166414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID p2M8aptHI9
Name (5Z)-5-[(3aS,6aR)-1,3-dibenzyl-2-keto-6,6a-dihydro-3aH-thien[3,4-d]imidazol-4-ylidene]valeric acid
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Formula C24H26N2O3S
InChI InChI=1S/C24H26N2O3S/c27-22(28)14-8-7-13-21-23-20(17-30-21)25(15-18-9-3-1-4-10-18)24(29)26(23)16-19-11-5-2-6-12-19/h1-6,9-13,20,23H,7-8,14-17H2,(H,27,28)/b21-13-/t20-,23-/m0/s1
InChIKey GQKNDJQLKMPRRK-GHWJVACZSA-N
Molecular Weight 422.543 g/mol
SMILES OC(CCC\C=C\1[C@]2(N(C(N([C@]2(CS1)[H])Cc1ccccc1)=O)Cc1ccccc1)[H])=O
SPLASH splash10-0006-9000000000-b224d285f4cb29117215
Source of Spectrum SO-0-2007-11
Synonyms (5Z)-5-[(3aS,6aR)-1,3-dibenzyl-2-oxo-6,6a-dihydro-3aH-thieno[3,4-d]imidazol-4-ylidene]pentanoic acid (5Z)-5-[(3aS,6aR)-2-oxidanylidene-1,3-bis(phenylmethyl)-6,6a-dihydro-3aH-thieno[3,4-d]imidazol-4-ylidene]pentanoic acid (5Z)-5-[(3aS,6aR)-2-oxo-1,3-bis(phenylmethyl)-6,6a-dihydro-3aH-thieno[3,4-d]imidazol-4-ylidene]pentanoic acid
Wiley ID 878456