CHEBI:117053 - 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-2-propenamide

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ChEBI Name 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-2-propenamide
ChEBI ID CHEBI:117053
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H13N3O3S
Net Charge 0
Average Mass 339.370
Monoisotopic Mass 339.06776
InChI InChI=1S/C17H13N3O3S/c1-11(9-12-5-3-2-4-6-12)16(21)19-17-18-14-8-7-13(20(22)23)10-15(14)24-17/h2-10H,1H3,(H,18,19,21)
InChIKey NCAVOTMEMZFWEF-UHFFFAOYSA-N
SMILES CC(=CC1=CC=CC=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]
ChEBI Ontology
Outgoing 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-2-propenamide (CHEBI:117053) is a cinnamamides (CHEBI:23247)
2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-2-propenamide (CHEBI:117053) is a secondary carboxamide (CHEBI:140325)
Manual Xref Database
LSM-28500 LINCS
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Last Modified
07 March 2018