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2-[(2-chlorobenzoyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID GzyYo2ZTkmo
InChI InChI=1S/C17H17ClN2O3S2/c1-4-23-16(22)13-9(2)10(3)25-15(13)20-17(24)19-14(21)11-7-5-6-8-12(11)18/h5-8H,4H2,1-3H3,(H2,19,20,21,24)
InChIKey RVZMWCHOQJGQNZ-UHFFFAOYSA-N
Mol Weight 396.91 g/mol
Molecular Formula C17H17ClN2O3S2
Exact Mass 396.036912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1jIOoWV7Cq
Name 2-[(2-chlorobenzoyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17ClN2O3S2
InChI InChI=1S/C17H17ClN2O3S2/c1-4-23-16(22)13-9(2)10(3)25-15(13)20-17(24)19-14(21)11-7-5-6-8-12(11)18/h5-8H,4H2,1-3H3,(H2,19,20,21,24)
InChIKey RVZMWCHOQJGQNZ-UHFFFAOYSA-N
Molecular Weight 396.907 g/mol
SMILES N(c1c(c(C)c(s1)C)C(=O)OCC)C(NC(c1c(Cl)cccc1)=O)=S
SPLASH splash10-0gw3-2912000000-79cb599a7f1f979dd0ba
Synonyms 2-[[[[(2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester Ethyl 2-[(2-chlorobenzoyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Ethyl 2-[(2-chlorophenyl)carbonylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate
Wiley ID 1462504