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(E)-3-(2-acetyl-4,5-dimethoxy-anilino)-2-[4-(4-nitrophenyl)thiazol-2-yl]acrylonitrile
SpectraBase Compound ID B1o1gMt44TI
InChI InChI=1S/C22H18N4O5S/c1-13(27)17-8-20(30-2)21(31-3)9-18(17)24-11-15(10-23)22-25-19(12-32-22)14-4-6-16(7-5-14)26(28)29/h4-9,11-12,24H,1-3H3/b15-11+
InChIKey XDMJZITYXKUQKY-RVDMUPIBSA-N
Mol Weight 450.47 g/mol
Molecular Formula C22H18N4O5S
Exact Mass 450.099791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZRGxQkBuj2
Name (E)-3-(2-acetyl-4,5-dimethoxy-anilino)-2-[4-(4-nitrophenyl)thiazol-2-yl]acrylonitrile
Alternate Name(s) (E)-3-(2-acetyl-4,5-dimethoxy-anilino)-2-[4-(4-nitrophenyl)thiazol-2-yl]prop-2-enenitrile (E)-3-(2-acetyl-4,5-dimethoxyanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile (E)-3-(2-acetyl-4,5-dimethoxyanilino)-2-[4-(4-nitrophenyl)-2-thiazolyl]-2-propenenitrile (E)-3-[(2-ethanoyl-4,5-dimethoxy-phenyl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
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Formula C22H18N4O5S
InChI InChI=1S/C22H18N4O5S/c1-13(27)17-8-20(30-2)21(31-3)9-18(17)24-11-15(10-23)22-25-19(12-32-22)14-4-6-16(7-5-14)26(28)29/h4-9,11-12,24H,1-3H3/b15-11+
InChIKey XDMJZITYXKUQKY-RVDMUPIBSA-N
Molecular Weight 450.469 g/mol
SMILES N(c1c(cc(c(c1)OC)OC)C(=O)C)\C=C\(c1nc(cs1)-c1ccc(N(=O)=O)cc1)C#N
SPLASH splash10-000x-9200000000-d7755c98d3329adf529f
Wiley ID 1466085