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2-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-4-methyl-5-[oxo(1-piperidinyl)methyl]-3-thiophenecarboxylic acid ethyl ester
SpectraBase Compound ID 7lHtTIbQnNd
InChI InChI=1S/C21H22ClN3O6S/c1-3-31-21(28)16-12(2)17(20(27)24-9-5-4-6-10-24)32-19(16)23-18(26)14-11-13(25(29)30)7-8-15(14)22/h7-8,11H,3-6,9-10H2,1-2H3,(H,23,26)
InChIKey LVUVPFZZEGZOMT-UHFFFAOYSA-N
Mol Weight 479.94 g/mol
Molecular Formula C21H22ClN3O6S
Exact Mass 479.091784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cikk6v109Rb
Name 2-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-4-methyl-5-[oxo(1-piperidinyl)methyl]-3-thiophenecarboxylic acid ethyl ester
Alternate Name(s) Ethyl 2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-4-methyl-5-piperidin-1-ylcarbonyl-thiophene-3-carboxylate Ethyl 2-[(2-chloro-5-nitro-benzoyl)amino]-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate Ethyl 2-[(2-chloro-5-nitrobenzoyl)amino]-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22ClN3O6S
InChI InChI=1S/C21H22ClN3O6S/c1-3-31-21(28)16-12(2)17(20(27)24-9-5-4-6-10-24)32-19(16)23-18(26)14-11-13(25(29)30)7-8-15(14)22/h7-8,11H,3-6,9-10H2,1-2H3,(H,23,26)
InChIKey LVUVPFZZEGZOMT-UHFFFAOYSA-N
Molecular Weight 479.935 g/mol
SMILES N(c1c(c(C)c(s1)C(N1CCCCC1)=O)C(=O)OCC)C(c1cc(N(=O)=O)ccc1Cl)=O
SPLASH splash10-001i-9701000000-c1d4ab344ca75bb0461e
Wiley ID 1457953