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5-Pyrimidinecarboxylic acid, 4-[(1,3-benzothiazol-2-ylthio)methyl]-6-(2,5-dimethylphenyl)-1,2,3,6-tetrahydro-2-oxo-, ethyl ester
SpectraBase Compound ID 8iOShxgeznL
InChI InChI=1S/C23H23N3O3S2/c1-4-29-21(27)19-17(12-30-23-25-16-7-5-6-8-18(16)31-23)24-22(28)26-20(19)15-11-13(2)9-10-14(15)3/h5-11,20H,4,12H2,1-3H3,(H2,24,26,28)
InChIKey ADZIFSDZYDYNQJ-UHFFFAOYSA-N
Mol Weight 453.58 g/mol
Molecular Formula C23H23N3O3S2
Exact Mass 453.118084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7nVg3b6WnyS
Name 5-Pyrimidinecarboxylic acid, 4-[(1,3-benzothiazol-2-ylthio)methyl]-6-(2,5-dimethylphenyl)-1,2,3,6-tetrahydro-2-oxo-, ethyl ester
Alternate Name(s) 6-[(1,3-benzothiazol-2-ylthio)methyl]-4-(2,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Ethyl 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(2,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Ethyl 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(2,5-dimethylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
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Formula C23H23N3O3S2
InChI InChI=1S/C23H23N3O3S2/c1-4-29-21(27)19-17(12-30-23-25-16-7-5-6-8-18(16)31-23)24-22(28)26-20(19)15-11-13(2)9-10-14(15)3/h5-11,20H,4,12H2,1-3H3,(H2,24,26,28)
InChIKey ADZIFSDZYDYNQJ-UHFFFAOYSA-N
Molecular Weight 453.575 g/mol
SMILES N1C(NC(=C(C1c1c(ccc(c1)C)C)C(=O)OCC)CSc1nc2ccccc2s1)=O
SPLASH splash10-02ta-3921000000-94fe400c77ff178dceb8
Source of Spectrum IY-1-4698-1
Wiley ID 1654964