CHEBI:107509 - N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-4-nitro-3-isoxazolecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-4-nitro-3-isoxazolecarboxamide
ChEBI ID CHEBI:107509
Stars This entity has been manually annotated by a third party.
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Formula C14H14N4O5S
Net Charge 0
Average Mass 350.351
Monoisotopic Mass 350.06849
InChI InChI=1S/C14H14N4O5S/c1-6-11(18(21)22)10(17-23-6)13(20)16-14-9(12(15)19)7-4-2-3-5-8(7)24-14/h2-5H2,1H3,(H2,15,19)(H,16,20)
InChIKey KWSMRTMQIZTIHV-UHFFFAOYSA-N
SMILES CC1=C(C(=NO1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)[N+](=O)[O-]
ChEBI Ontology
Outgoing N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-4-nitro-3-isoxazolecarboxamide (CHEBI:107509) is a aromatic amide (CHEBI:62733)
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-4-nitro-3-isoxazolecarboxamide (CHEBI:107509) is a thiophenes (CHEBI:26961)
Manual Xref Database
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