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CHEBI:107475 - acetic acid [2-ethoxy-6-nitro-4-[[5-oxo-2-(prop-2-enylthio)-4-thiazolylidene]methyl]phenyl] ester

ChEBI IDCHEBI:107475
ChEBI Nameacetic acid [2-ethoxy-6-nitro-4-[[5-oxo-2-(prop-2-enylthio)-4-thiazolylidene]methyl]phenyl] ester
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DownloadsMolfile
FormulaC17H16N2O6S2
Net Charge0
Average Mass408.457
Monoisotopic Mass408.04498
SMILESC=CCSC1=NC(=Cc2cc(OCC)c(OC(C)=O)c([N+](=O)[O-])c2)C(=O)S1
InChIInChI=1S/C17H16N2O6S2/c1-4-6-26-17-18-12(16(21)27-17)7-11-8-13(19(22)23)15(25-10(3)20)14(9-11)24-5-2/h4,7-9H,1,5-6H2,2-3H3
InChIKeyVGKDCUBFONAPQD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
acetic acid [2-ethoxy-6-nitro-4-[[5-oxo-2-(prop-2-enylthio)-4-thiazolylidene]methyl]phenyl] ester (CHEBI:107475) is a C-nitro compound (CHEBI:35716)
acetic acid [2-ethoxy-6-nitro-4-[[5-oxo-2-(prop-2-enylthio)-4-thiazolylidene]methyl]phenyl] ester (CHEBI:107475) is a aromatic ether (CHEBI:35618)
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LSM-18830LINCS