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2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-5-[(2-methoxyanilino)-oxomethyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-5-[(2-methoxyanilino)-oxomethyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester
SpectraBase Compound ID II2fdV5Tb9x
InChI InChI=1S/C23H20ClN3O7S/c1-4-34-23(30)18-12(2)19(21(29)25-15-7-5-6-8-17(15)33-3)35-22(18)26-20(28)13-9-10-14(24)16(11-13)27(31)32/h5-11H,4H2,1-3H3,(H,25,29)(H,26,28)
InChIKey QYOREZFAVGSHSJ-UHFFFAOYSA-N
Mol Weight 517.94 g/mol
Molecular Formula C23H20ClN3O7S
Exact Mass 517.071049 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5T78lbhTV6G
Name 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-5-[(2-methoxyanilino)-oxomethyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester
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Formula C23H20ClN3O7S
InChI InChI=1S/C23H20ClN3O7S/c1-4-34-23(30)18-12(2)19(21(29)25-15-7-5-6-8-17(15)33-3)35-22(18)26-20(28)13-9-10-14(24)16(11-13)27(31)32/h5-11H,4H2,1-3H3,(H,25,29)(H,26,28)
InChIKey QYOREZFAVGSHSJ-UHFFFAOYSA-N
Molecular Weight 517.940 g/mol
SMILES N(C(c1c(c(c(s1)NC(c1cc(N(=O)=O)c(cc1)Cl)=O)C(=O)OCC)C)=O)c1c(OC)cccc1
SPLASH splash10-00dj-2903000000-0fffaf6bb677d51d9340
Synonyms Ethyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-5-[(2-methoxyphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate Ethyl 2-[(4-chloro-3-nitro-benzoyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate Ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Wiley ID 1462221