Compound Identification
SMILES
CCOC(=O)C1=CN2C(SC3=C2C=CC(N)=C3)=N1
InChIKey
InChIKey=JVDAGFDYLCONOB-UHFFFAOYSA-N
Formula
C12H11N3O2S
Mass
261.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazoles
Alternative Parents
Carbonylimidazoles N-substituted imidazoles Benzenoids Vinylogous amides Thiazoles Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Imidazole-4-carbonyl group - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Thiazole - Imidazole - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors
Not available