Structure Information
Structure

Compound Identification

SMILES

C[C@@](O)(C(=O)NC1=C2C(OCC3=C(SC=C3)C2=O)=CC=C1)C(F)(F)F

InChIKey

InChIKey=XNIJYFMJIVBVTM-OAHLLOKOSA-N

Formula

C16H12F3NO4S

Mass

371.33

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxepines

Subclass

Thienobenzoxepines

Intermediate Tree Nodes

Not available

Direct Parent

Thienobenzoxepines

Alternative Parents

N-arylamides Aryl ketones Alkyl aryl ethers Benzenoids Vinylogous amides Thiophenes Tertiary alcohols Heteroaromatic compounds Secondary carboxylic acid amides Fluorohydrins Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Thienobenzoxepine - Aryl ketone - N-arylamide - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Tertiary alcohol - Carboxamide group - Fluorohydrin - Halohydrin - Ketone - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Oxacycle - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alcohol - Organic oxygen compound - Carbonyl group - Alkyl halide - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as thienobenzoxepines. These are compounds containing a benzoxepine fused to a thiophene ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom.

External Descriptors

Not available

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