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2-(2-Chloro-5-nitro-anilino)-4-methyl-5-phenyl-thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID 3RMP0m9Enor
InChI InChI=1S/C20H17ClN2O4S/c1-3-27-20(24)17-12(2)18(13-7-5-4-6-8-13)28-19(17)22-16-11-14(23(25)26)9-10-15(16)21/h4-11,22H,3H2,1-2H3
InChIKey YLHDBNJWHCSLIG-UHFFFAOYSA-N
Mol Weight 416.88 g/mol
Molecular Formula C20H17ClN2O4S
Exact Mass 416.059756 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXXwyGzidMM
Name 2-(2-Chloro-5-nitro-anilino)-4-methyl-5-phenyl-thiophene-3-carboxylic acid ethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17ClN2O4S
InChI InChI=1S/C20H17ClN2O4S/c1-3-27-20(24)17-12(2)18(13-7-5-4-6-8-13)28-19(17)22-16-11-14(23(25)26)9-10-15(16)21/h4-11,22H,3H2,1-2H3
InChIKey YLHDBNJWHCSLIG-UHFFFAOYSA-N
Molecular Weight 416.879 g/mol
SMILES N(c1c(c(C)c(s1)-c1ccccc1)C(=O)OCC)c1cc(N(=O)=O)ccc1Cl
SPLASH splash10-0005-1913600000-c47f367c7c4cb27f1958
Synonyms 2-(2-Chloro-5-nitroanilino)-4-methyl-5-phenyl-3-thiophenecarboxylic acid ethyl ester Ethyl 2-(2-chloro-5-nitro-anilino)-4-methyl-5-phenyl-thiophene-3-carboxylate Ethyl 2-[(2-chloranyl-5-nitro-phenyl)amino]-4-methyl-5-phenyl-thiophene-3-carboxylate
Wiley ID 1454965