EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:116958 - N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-4-nitro-3-isoxazolecarboxamide

ChEBI IDCHEBI:116958
ChEBI NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-4-nitro-3-isoxazolecarboxamide
Stars
DownloadsMolfile
FormulaC14H12N4O4S
Net Charge0
Average Mass332.341
Monoisotopic Mass332.05793
SMILESCc1onc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1[N+](=O)[O-]
InChIInChI=1S/C14H12N4O4S/c1-7-12(18(20)21)11(17-22-7)13(19)16-14-9(6-15)8-4-2-3-5-10(8)23-14/h2-5H2,1H3,(H,16,19)
InChIKeyMRLCOQNXYQPSLO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-4-nitro-3-isoxazolecarboxamide (CHEBI:116958) is a aromatic amide (CHEBI:62733)
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-4-nitro-3-isoxazolecarboxamide (CHEBI:116958) is a heteroarene (CHEBI:33833)
Manual XrefsDatabases
LSM-28407LINCS