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CHEBI:228414 - 2-[(3S)-1-(3-Methoxybenzyl)-3-pyrrolidinyl]-1,3-benzothiazole

ChEBI IDCHEBI:228414
ChEBI Name2-[(3S)-1-(3-Methoxybenzyl)-3-pyrrolidinyl]-1,3-benzothiazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20N2OS
Net Charge0
Average Mass324.449
Monoisotopic Mass324.12963
SMILES[H][C@]1(c2nc3ccccc3s2)CCN(Cc2cccc(OC)c2)C1
InChIInChI=1S/C19H20N2OS/c1-22-16-6-4-5-14(11-16)12-21-10-9-15(13-21)19-20-17-7-2-3-8-18(17)23-19/h2-8,11,15H,9-10,12-13H2,1H3/t15-/m0/s1
InChIKeyJSSJNSQEFWGMKR-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
2-[(3S)-1-(3-Methoxybenzyl)-3-pyrrolidinyl]-1,3-benzothiazole (CHEBI:228414) is a benzothiazoles (CHEBI:37947)
IUPAC Name 
2-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1,3-benzothiazole
Manual XrefsDatabases
29849983ChemSpider