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Ethyl 2-(2-(2-(2-isonicotinoylhydrazinecarbonothioylthio)-2-phenylacetamido)thiazol-4-yl)acetate
SpectraBase Compound ID LvOVzhZnKk6
InChI InChI=1S/C22H21N5O4S3/c1-2-31-17(28)12-16-13-33-21(24-16)25-20(30)18(14-6-4-3-5-7-14)34-22(32)27-26-19(29)15-8-10-23-11-9-15/h3-11,13,18H,2,12H2,1H3,(H,26,29)(H,27,32)(H,24,25,30)
InChIKey QEWJGPPEDWRDHY-UHFFFAOYSA-N
Mol Weight 515.62 g/mol
Molecular Formula C22H21N5O4S3
Exact Mass 515.075568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NDCzVBoxFf
Name Ethyl 2-(2-(2-(2-isonicotinoylhydrazinecarbonothioylthio)-2-phenylacetamido)thiazol-4-yl)acetate
Alternate Name(s) Ethyl 2-(2-(2-((2-isonicotinoylhydrazinecarbonothioyl)thio)-2-phenylacetamido)thiazol-4-yl)acetate 2-[2-[[1-oxo-2-[[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]thio]-2-phenylethyl]amino]-4-thiazolyl]acetic acid ethyl ester Ethyl 2-[2-[[2-phenyl-2-[(pyridine-4-carbonylamino)carbamothioylsulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate Ethyl 2-[2-[[2-phenyl-2-[(pyridine-4-carbonylamino)carbamothioylsulfanyl]acetyl]amino]thiazol-4-yl]acetate Ethyl 2-[2-[[2-phenyl-2-[(pyridin-4-ylcarbonylamino)carbamothioylsulfanyl]ethanoyl]amino]-1,3-thiazol-4-yl]ethanoate
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Formula C22H21N5O4S3
InChI InChI=1S/C22H21N5O4S3/c1-2-31-17(28)12-16-13-33-21(24-16)25-20(30)18(14-6-4-3-5-7-14)34-22(32)27-26-19(29)15-8-10-23-11-9-15/h3-11,13,18H,2,12H2,1H3,(H,26,29)(H,27,32)(H,24,25,30)
InChIKey QEWJGPPEDWRDHY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200390002
Molecular Weight 515.621 g/mol
SMILES N(c1nc(cs1)CC(=O)OCC)C(C(SC(NNC(=O)c1ccncc1)=S)c1ccccc1)=O
SPLASH splash10-01q9-4941800000-047ce7a0c10a7200b4cc
Source of Spectrum APP-336-45-3x
Wiley ID 1770667