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Hexanoic acid, 6-oxo-6-[5-(2-pyridylthiomethyl)-2-oxo-4-imidazolinyl]-, ethyl ester
SpectraBase Compound ID HOSchv2tHHO
InChI InChI=1S/C17H21N3O4S/c1-2-24-15(22)9-4-3-7-13(21)16-12(19-17(23)20-16)11-25-14-8-5-6-10-18-14/h5-6,8,10H,2-4,7,9,11H2,1H3,(H2,19,20,23)
InChIKey LSISCEICGMSKLS-UHFFFAOYSA-N
Mol Weight 363.43 g/mol
Molecular Formula C17H21N3O4S
Exact Mass 363.125277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D45qlfF1ai1
Name Hexanoic acid, 6-oxo-6-[5-(2-pyridylthiomethyl)-2-oxo-4-imidazolinyl]-, ethyl ester
Alternate Name(s) 6-keto-6-[2-keto-5-[(2-pyridylthio)methyl]-4-imidazolin-4-yl]hexanoic acid ethyl ester 6-Oxo-6-[2-oxo-5-[(2-pyridinylthio)methyl]-1,3-dihydroimidazol-4-yl]hexanoic acid ethyl ester Ethyl 6-oxidanylidene-6-[2-oxidanylidene-5-(pyridin-2-ylsulfanylmethyl)-1,3-dihydroimidazol-4-yl]hexanoate Ethyl 6-oxo-6-(2-oxo-5-[(2-pyridinylsulfanyl)methyl]-2,3-dihydro-1H-imidazol-4-yl)hexanoate Ethyl 6-oxo-6-[2-oxo-5-(2-pyridylsulfanylmethyl)-1,3-dihydroimidazol-4-yl]hexanoate Ethyl 6-oxo-6-[2-oxo-5-(pyridin-2-ylsulfanylmethyl)-1,3-dihydroimidazol-4-yl]hexanoate
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Formula C17H21N3O4S
InChI InChI=1S/C17H21N3O4S/c1-2-24-15(22)9-4-3-7-13(21)16-12(19-17(23)20-16)11-25-14-8-5-6-10-18-14/h5-6,8,10H,2-4,7,9,11H2,1H3,(H2,19,20,23)
InChIKey LSISCEICGMSKLS-UHFFFAOYSA-N
Molecular Weight 363.432 g/mol
SMILES N1C(NC(=C1CSc1ccccn1)C(CCCCC(OCC)=O)=O)=O
SPLASH splash10-03di-8910000000-4c21514c33710ee7ba0b
Source of Spectrum AD-0-2532-0
Wiley ID 1426426