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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-[(3S)-1-(3-Methoxybenzyl)-3-pyrrolidinyl]-1,3-benzothiazole

ChEBI ID	CHEBI:228414

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H20N2OS

Net Charge

Average Mass

324.440

Monoisotopic Mass

324.12963

InChI

InChI=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

InChIKey

JSSJNSQEFWGMKR-HNNXBMFYSA-N

SMILES

S1C(=NC=2C1=CC=CC2)[C@]3(CCN(C3)CC4=CC(OC)=CC=C4)[H]

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	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