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CHEBI:106016 - 2-[[[[(1-ethyl-4-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester

ChEBI IDCHEBI:106016
ChEBI Name2-[[[[(1-ethyl-4-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester
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DownloadsMolfile
FormulaC19H24N4O3S2
Net Charge0
Average Mass420.560
Monoisotopic Mass420.12898
SMILESCCn1cc(C(=O)NC(=S)Nc2sc3c(c2C(=O)OC)CCCCCC3)cn1
InChIInChI=1S/C19H24N4O3S2/c1-3-23-11-12(10-20-23)16(24)21-19(27)22-17-15(18(25)26-2)13-8-6-4-5-7-9-14(13)28-17/h10-11H,3-9H2,1-2H3,(H2,21,22,24,27)
InChIKeyDTVRPXOVDRDBKJ-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-[[[[(1-ethyl-4-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester (CHEBI:106016) is a thiophenecarboxylic acid (CHEBI:48436)
Manual XrefsDatabases
LSM-17377LINCS