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CHEBI:112370 - 2-[[[[[5-[(4-chloro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester

ChEBI IDCHEBI:112370
ChEBI Name2-[[[[[5-[(4-chloro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
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DownloadsMolfile
FormulaC22H23ClN4O4S2
Net Charge0
Average Mass507.037
Monoisotopic Mass506.08492
SMILESCCOC(=O)c1c(NC(=S)NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)sc2c1CCC(C)C2
InChIInChI=1S/C22H23ClN4O4S2/c1-3-30-21(29)18-15-6-4-12(2)8-17(15)33-20(18)26-22(32)25-19(28)16-7-5-14(31-16)11-27-10-13(23)9-24-27/h5,7,9-10,12H,3-4,6,8,11H2,1-2H3,(H2,25,26,28,32)
InChIKeyUBMMPWIYJFDHNY-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-[[[[[5-[(4-chloro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester (CHEBI:112370) is a thiophenecarboxylic acid (CHEBI:48436)
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