Compound Identification
SMILES
COC(=O)C1=CC=C(NC2=NC(=O)C(S2)=CC2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=ILRBTZHZGZQIEQ-UHFFFAOYSA-N
Formula
C18H13BrN2O3S
Mass
417.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
Subclass
Benzoic acids and derivatives
-
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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Benzoyl derivatives Aniline and substituted anilines Bromobenzenes Aryl bromides Thiazolines Methyl esters N-acylimines Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Aniline or substituted anilines - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Methyl ester - Meta-thiazoline - Isothiourea - Carboxylic acid ester - N-acylimine - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available