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CHEBI:115668 - 2-[[(4-fluoro-2-nitroanilino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester

ChEBI IDCHEBI:115668
ChEBI Name2-[[(4-fluoro-2-nitroanilino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester
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DownloadsMolfile
FormulaC18H18FN3O4S2
Net Charge0
Average Mass423.491
Monoisotopic Mass423.07228
SMILESCOC(=O)c1c(NC(=S)Nc2ccc(F)cc2[N+](=O)[O-])sc2c1CCCCC2
InChIInChI=1S/C18H18FN3O4S2/c1-26-17(23)15-11-5-3-2-4-6-14(11)28-16(15)21-18(27)20-12-8-7-10(19)9-13(12)22(24)25/h7-9H,2-6H2,1H3,(H2,20,21,27)
InChIKeyZWPGINLNSOSFIM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[(4-fluoro-2-nitroanilino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester (CHEBI:115668) is a organosulfur heterocyclic compound (CHEBI:38106)
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