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5-[(3-chloroanilino)-oxomethyl]-4-methyl-2-[(2,3,3,3-tetrafluoro-2-methoxy-1-oxopropyl)amino]-3-thiophenecarboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

5-[(3-chloroanilino)-oxomethyl]-4-methyl-2-[(2,3,3,3-tetrafluoro-2-methoxy-1-oxopropyl)amino]-3-thiophenecarboxylic acid ethyl ester
SpectraBase Compound ID IJVAOS8V5O1
InChI InChI=1S/C19H17ClF4N2O5S/c1-4-31-16(28)12-9(2)13(14(27)25-11-7-5-6-10(20)8-11)32-15(12)26-17(29)18(21,30-3)19(22,23)24/h5-8H,4H2,1-3H3,(H,25,27)(H,26,29)
InChIKey JKAUUPNCOMICPC-UHFFFAOYSA-N
Mol Weight 496.86 g/mol
Molecular Formula C19H17ClF4N2O5S
Exact Mass 496.048283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Yh5TlFdnnB
Name 5-[(3-chloroanilino)-oxomethyl]-4-methyl-2-[(2,3,3,3-tetrafluoro-2-methoxy-1-oxopropyl)amino]-3-thiophenecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17ClF4N2O5S
InChI InChI=1S/C19H17ClF4N2O5S/c1-4-31-16(28)12-9(2)13(14(27)25-11-7-5-6-10(20)8-11)32-15(12)26-17(29)18(21,30-3)19(22,23)24/h5-8H,4H2,1-3H3,(H,25,27)(H,26,29)
InChIKey JKAUUPNCOMICPC-UHFFFAOYSA-N
Molecular Weight 496.861 g/mol
SMILES N(C(c1c(c(c(s1)NC(C(C(F)(F)F)(F)OC)=O)C(=O)OCC)C)=O)c1cc(Cl)ccc1
SPLASH splash10-00di-9537000000-de48b3b412021a4a64eb
Synonyms 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-[(2,3,3,3-tetrafluoro-2-methoxy-propanoyl)amino]thiophene-3-carboxylic acid ethyl ester Ethyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-[(2,3,3,3-tetrafluoro-2-methoxy-propanoyl)amino]thiophene-3-carboxylate Ethyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-[[2,3,3,3-tetrakis(fluoranyl)-2-methoxy-propanoyl]amino]thiophene-3-carboxylate
Wiley ID 1459519