CHEBI:114835 - N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide
ChEBI ID CHEBI:114835
Stars This entity has been manually annotated by a third party.
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Formula C18H17N3O6S2
Net Charge 0
Average Mass 435.477
Monoisotopic Mass 435.05588
InChI InChI=1S/C18H17N3O6S2/c1-27-10-9-20-15-8-7-12(29(2,25)26)11-16(15)28-18(20)19-17(22)13-5-3-4-6-14(13)21(23)24/h3-8,11H,9-10H2,1-2H3
InChIKey AOHIWHBKJBUJOF-UHFFFAOYSA-N
SMILES COCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-]
ChEBI Ontology
Outgoing N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide (CHEBI:114835) is a benzothiazoles (CHEBI:37947)
Manual Xref Database
LSM-26297 LINCS
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