EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:108956 - 5-[(2-fluorophenyl)methyl]-6,11-dioxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid

ChEBI IDCHEBI:108956
ChEBI Name5-[(2-fluorophenyl)methyl]-6,11-dioxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid
Stars
DownloadsMolfile
FormulaC21H14FNO4S
Net Charge0
Average Mass395.411
Monoisotopic Mass395.06276
SMILESO=C(O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2=O
InChIInChI=1S/C21H14FNO4S/c22-16-7-3-1-5-14(16)12-23-17-11-13(21(25)26)9-10-19(17)28(27)18-8-4-2-6-15(18)20(23)24/h1-11H,12H2,(H,25,26)
InChIKeyPLLOPZCELZQFPM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-[(2-fluorophenyl)methyl]-6,11-dioxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid (CHEBI:108956) is a dibenzothiazepine (CHEBI:39268)
Manual XrefsDatabases
LSM-20354LINCS