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CHEBI:94076 - 2-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester

ChEBI IDCHEBI:94076
ChEBI Name2-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester
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DownloadsMolfile
FormulaC19H19N3O6S2
Net Charge0
Average Mass449.510
Monoisotopic Mass449.07153
SMILESCCOC(=O)c1c(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc2c1CCC2
InChIInChI=1S/C19H19N3O6S2/c1-3-28-18(24)15-11-5-4-6-14(11)30-17(15)21-19(29)20-16(23)10-7-8-13(27-2)12(9-10)22(25)26/h7-9H,3-6H2,1-2H3,(H2,20,21,23,29)
InChIKeyQAUPPVKWEBNZGM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester (CHEBI:94076) is a C-nitro compound (CHEBI:35716)
2-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester (CHEBI:94076) is a aromatic ether (CHEBI:35618)
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