EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:123375 - 2-[[oxo-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester

ChEBI IDCHEBI:123375
ChEBI Name2-[[oxo-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
Stars
DownloadsMolfile
FormulaC20H19NO5S
Net Charge0
Average Mass385.441
Monoisotopic Mass385.09839
SMILESCOC(=O)c1c(NC(=O)C2Cc3ccccc3C(=O)O2)sc2c1CCCC2
InChIInChI=1S/C20H19NO5S/c1-25-20(24)16-13-8-4-5-9-15(13)27-18(16)21-17(22)14-10-11-6-2-3-7-12(11)19(23)26-14/h2-3,6-7,14H,4-5,8-10H2,1H3,(H,21,22)
InChIKeyRZHQKEHUOJBXON-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[oxo-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester (CHEBI:123375) is a 2-benzopyran (CHEBI:38444)
Manual XrefsDatabases
LSM-34817LINCS