2-Methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine (CHEBI:189330)

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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-Methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine

ChEBI ID	CHEBI:189330

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

Submitter	MetaboLights

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

Formula

C16H15NS

Net Charge

Average Mass

253.360

Monoisotopic Mass

253.09252

InChI

InChI=1S/C16H15NS/c1-12-11-15(13-7-3-2-4-8-13)17-14-9-5-6-10-16(14)18-12/h2-10,12H,11H2,1H3

InChIKey

NBRFYVLJPCZJNZ-UHFFFAOYSA-N

SMILES

S1C(CC(=NC=2C1=CC=CC2)C3=CC=CC=C3)C

Metabolite of Species	Details
Arabidopsis thaliana (NCBI:txid3702)	Found in leaf (BTO:0000713). See: MetaboLights Study

ChEBI Ontology
Outgoing	2-Methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine (CHEBI:189330) is a benzothiazepine (CHEBI:48684)

IUPAC Name

2-methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine