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CHEBI:104962 - 4-(1,3-benzothiazol-2-yl)-5-(4-chloro-3-nitrophenyl)-4-pentenoic acid

ChEBI IDCHEBI:104962
ChEBI Name4-(1,3-benzothiazol-2-yl)-5-(4-chloro-3-nitrophenyl)-4-pentenoic acid
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DownloadsMolfile
FormulaC18H13ClN2O4S
Net Charge0
Average Mass388.832
Monoisotopic Mass388.02846
SMILESO=C(O)CCC(=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccccc2s1
InChIInChI=1S/C18H13ClN2O4S/c19-13-7-5-11(10-15(13)21(24)25)9-12(6-8-17(22)23)18-20-14-3-1-2-4-16(14)26-18/h1-5,7,9-10H,6,8H2,(H,22,23)
InChIKeyGHVAFTZKRDDKEC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(1,3-benzothiazol-2-yl)-5-(4-chloro-3-nitrophenyl)-4-pentenoic acid (CHEBI:104962) is a benzothiazoles (CHEBI:37947)
Manual XrefsDatabases
LSM-16325LINCS