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1H-Pyrazole-5-carboxylic acid, 1-methyl-3-[[[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]amino]carbonyl]-, methyl ester
SpectraBase Compound ID H40SEAMTJ9x
InChI InChI=1S/C15H14N4O5S2/c1-19-11(14(21)24-2)7-10(18-19)13(20)17-15-16-9-5-4-8(26(3,22)23)6-12(9)25-15/h4-7H,1-3H3,(H,16,17,20)
InChIKey XTXBOMDYTNFGSV-UHFFFAOYSA-N
Mol Weight 394.42 g/mol
Molecular Formula C15H14N4O5S2
Exact Mass 394.040562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZfrqpvoKxs
Name 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-[[[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]amino]carbonyl]-, methyl ester
Alternate Name(s) Methyl 3-[(6-methanesulfonyl-1,3-benzothiazol-2-yl)carbamoyl]-1-methyl-1H-pyrazole-5-carboxylate 2-Methyl-5-[[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-3-pyrazolecarboxylic acid methyl ester Methyl 2-methyl-5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazole-3-carboxylate
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Formula C15H14N4O5S2
InChI InChI=1S/C15H14N4O5S2/c1-19-11(14(21)24-2)7-10(18-19)13(20)17-15-16-9-5-4-8(26(3,22)23)6-12(9)25-15/h4-7H,1-3H3,(H,16,17,20)
InChIKey XTXBOMDYTNFGSV-UHFFFAOYSA-N
Molecular Weight 394.420 g/mol
SMILES N(c1nc2ccc(S(=O)(=O)C)cc2s1)C(c1cc([n](n1)C)C(=O)OC)=O
SPLASH splash10-014i-3900000000-2e8891bb0afcab8343a9
Source of Spectrum IY-2-5034-9
Wiley ID 1658332