Compound Identification
SMILES
CCOC(=O)C1=C(N=C(N)S1)C1=CC(Br)=C(OC)C=C1
InChIKey
InChIKey=SJTYMQGDLXGWLV-UHFFFAOYSA-N
Formula
C13H13BrN2O3S
Mass
357.22
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Thiazoles
Intermediate Tree Nodes
Not available
Direct Parent
Thiazolecarboxylic acids and derivatives
Alternative Parents
2,4,5-trisubstituted thiazoles Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Bromobenzenes 2-amino-1,3-thiazoles Aryl bromides Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Primary amines Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Thiazolecarboxylic acid or derivatives - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Ether - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organobromide - Primary amine - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thiazolecarboxylic acids and derivatives. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid group (or a derivative thereof).
External Descriptors
Not available