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CHEBI:121752 - 3-(1,3-benzothiazol-2-yl)propanoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester

ChEBI IDCHEBI:121752
ChEBI Name3-(1,3-benzothiazol-2-yl)propanoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester
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DownloadsMolfile
FormulaC16H16N2O3S
Net Charge0
Average Mass316.382
Monoisotopic Mass316.08816
SMILESCc1noc(C)c1COC(=O)CCc1nc2ccccc2s1
InChIInChI=1S/C16H16N2O3S/c1-10-12(11(2)21-18-10)9-20-16(19)8-7-15-17-13-5-3-4-6-14(13)22-15/h3-6H,7-9H2,1-2H3
InChIKeyFSJOPIGMDBUYEB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(1,3-benzothiazol-2-yl)propanoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester (CHEBI:121752) is a benzothiazoles (CHEBI:37947)
Manual XrefsDatabases
LSM-33195LINCS