Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2C(F)(F)F)C=CC(CN(C[C@@H](OC(N)=O)C(C)(C)C)C2=NC3=CC=CC=C3S2)=C1
InChIKey
InChIKey=DNNKAGCFNWLYRV-AREMUKBSSA-N
Formula
C30H32F3N3O4S
Mass
587.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Benzothiazoles Phenoxy compounds Methoxybenzenes Anisoles Dialkylarylamines Benzylamines Alkyl aryl ethers 2-amino-1,3-thiazoles Heteroaromatic compounds Carbamate esters Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - 1,3-benzothiazole - Anisole - Benzylamine - Phenol ether - Dialkylarylamine - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - 1,3-thiazol-2-amine - Heteroaromatic compound - Azole - Carbamic acid ester - Thiazole - Azacycle - Organoheterocyclic compound - Ether - Organofluoride - Organohalogen compound - Organic oxide - Carbonyl group - Alkyl fluoride - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available