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(5E)-5-[(3aR,6aS)-2-oxo-3-(phenylmethyl)-1,3a,4,6a-tetrahydrothieno[3,4-d]imidazol-6-ylidene]pentanoic acid methyl ester
SpectraBase Compound ID HNo2OYrDJ0K
InChI InChI=1S/C18H22N2O3S/c1-23-16(21)10-6-5-9-15-17-14(12-24-15)20(18(22)19-17)11-13-7-3-2-4-8-13/h2-4,7-9,14,17H,5-6,10-12H2,1H3,(H,19,22)/b15-9+/t14-,17-/m0/s1
InChIKey FOXMAVOLQJAGBG-QFYPQXEXSA-N
Mol Weight 346.45 g/mol
Molecular Formula C18H22N2O3S
Exact Mass 346.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7CUrz4Cmt5
Name (5E)-5-[(3aR,6aS)-2-oxo-3-(phenylmethyl)-1,3a,4,6a-tetrahydrothieno[3,4-d]imidazol-6-ylidene]pentanoic acid methyl ester
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Formula C18H22N2O3S
InChI InChI=1S/C18H22N2O3S/c1-23-16(21)10-6-5-9-15-17-14(12-24-15)20(18(22)19-17)11-13-7-3-2-4-8-13/h2-4,7-9,14,17H,5-6,10-12H2,1H3,(H,19,22)/b15-9+/t14-,17-/m0/s1
InChIKey FOXMAVOLQJAGBG-QFYPQXEXSA-N
Molecular Weight 346.445 g/mol
SMILES N1[C@]2([C@@](N(C1=O)Cc1ccccc1)(CS\C2=C/CCCC(=O)OC)[H])[H]
SPLASH splash10-0007-9204000000-e61c9e39bb19bfe1f234
Source of Spectrum J-60-330-31
Synonyms (5E)-5-[(3aR,6aS)-3-benzyl-2-keto-1,3a,4,6a-tetrahydrothien[3,4-d]imidazol-6-ylidene]valeric acid methyl ester Methyl (5E)-5-[(3aR,6aS)-2-oxidanylidene-3-(phenylmethyl)-1,3a,4,6a-tetrahydrothieno[3,4-d]imidazol-6-ylidene]pentanoate Methyl (5E)-5-[(3aR,6aS)-3-benzyl-2-oxo-1,3a,4,6a-tetrahydrothieno[3,4-d]imidazol-6-ylidene]pentanoate
Wiley ID 1339173