3-[(2-Hydroxyethyl)thio]-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile (CHEBI:194832)

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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	3-[(2-Hydroxyethyl)thio]-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile

ChEBI ID	CHEBI:194832

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H15NO2S2

Net Charge

Average Mass

281.390

Monoisotopic Mass

281.05442

InChI

InChI=1S/C13H15NO2S2/c1-13(2)5-8-10(7-14)18-12(17-4-3-15)11(8)9(16)6-13/h15H,3-6H2,1-2H3

InChIKey

CMWFCBOESGCWLQ-UHFFFAOYSA-N

SMILES

S1C(=C2CC(CC(=O)C2=C1SCCO)(C)C)C#N

ChEBI Ontology
Outgoing	3-[(2-Hydroxyethyl)thio]-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile (CHEBI:194832) is a aryl sulfide (CHEBI:35683)

IUPAC Name

3-(2-hydroxyethylsulanyl)-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile