Structure Information
Structure

Compound Identification

SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C1=CC(=CS1)C(=O)C(F)(F)F

InChIKey

InChIKey=RZXMCOSXLCPHLU-UHFFFAOYSA-N

Formula

C16H10F3N3O4S

Mass

397.33

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzimidazoles

Subclass

2-benzimidazolylcarbamic acid esters

Intermediate Tree Nodes

Not available

Direct Parent

2-benzimidazolylcarbamic acid esters

Alternative Parents

Thiophene carboxylic acids and derivatives Aryl alkyl ketones Benzenoids Imidazoles Heteroaromatic compounds Carbamate esters Alpha-haloketones Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-benzimidazolylcarbamic acid ester - Thiophene carboxylic acid or derivatives - Aryl ketone - Aryl alkyl ketone - Benzenoid - Azole - Imidazole - Alpha-haloketone - Thiophene - Carbamic acid ester - Heteroaromatic compound - Ketone - Azacycle - Carbonyl group - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Alkyl halide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-benzimidazolylcarbamic acid esters. These are aromatic heteropolycyclic compounds that contain a carbamic acid ester group, which is N-linked to the C2-atom of a benzimidazole moiety.

External Descriptors

Not available

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