Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)CSC2=NN=C(CNC(=O)C3=CC=CC=C3F)N2C2CCCCC2)SC2=C1CCC2
InChIKey
InChIKey=BYUOIDNQXOVITK-UHFFFAOYSA-N
Formula
C28H32FN5O4S2
Mass
585.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Thiophene carboxylic acids and derivatives Benzoyl derivatives N-arylamides Alkylarylthioethers Fluorobenzenes Aryl fluorides Vinylogous halides Vinylogous amides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Sulfenyl compounds Carbonyl compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Thiophene carboxylic acid or derivatives - Aryl thioether - N-arylamide - Benzoyl - Halobenzene - Alkylarylthioether - Fluorobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Thiophene - Azole - Vinylogous amide - 1,2,4-triazole - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Sulfenyl compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Thioether - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available