Compound Identification
SMILES
CN1C(SC2=CC=CC=C12)=C1C(=O)OC(C)=CC1=O
InChIKey
InChIKey=IPQRDXIGAJLGHY-UHFFFAOYSA-N
Formula
C14H11NO3S
Mass
273.31
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
Aryl thioethers Dihydropyranones Vinylogous thioesters Benzenoids Vinylogous amides Thiazoles Enol esters Enoate esters Lactones Ketene acetals Cyclic ketones Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Dihydropyranone - Vinylogous thioester - Benzenoid - Enol ester - Thiazole - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ketene acetal or derivatives - Ketone - Lactone - Cyclic ketone - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - 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