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2-[3-(4-bromo-benzoyl)-thioureido]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID KTjFxp2yXh9
InChI InChI=1S/C17H17BrN2O3S2/c1-4-23-16(22)13-9(2)10(3)25-15(13)20-17(24)19-14(21)11-5-7-12(18)8-6-11/h5-8H,4H2,1-3H3,(H2,19,20,21,24)
InChIKey JWXXXLZPAVDFOP-UHFFFAOYSA-N
Mol Weight 441.36 g/mol
Molecular Formula C17H17BrN2O3S2
Exact Mass 439.986398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DIadFbxF28
Name 2-[3-(4-bromo-benzoyl)-thioureido]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17BrN2O3S2
InChI InChI=1S/C17H17BrN2O3S2/c1-4-23-16(22)13-9(2)10(3)25-15(13)20-17(24)19-14(21)11-5-7-12(18)8-6-11/h5-8H,4H2,1-3H3,(H2,19,20,21,24)
InChIKey JWXXXLZPAVDFOP-UHFFFAOYSA-N
Molecular Weight 441.358 g/mol
SMILES N(c1c(c(C)c(s1)C)C(=O)OCC)C(NC(c1ccc(cc1)Br)=O)=S
SPLASH splash10-014i-1925000000-ff6a954a0b0709f3f445
Synonyms Ethyl 2-({[(4-bromobenzoyl)amino]carbothioyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
Wiley ID 1454650