Compound Identification
SMILES
COC1=C2N=C(NNC(=O)C3=COCCO3)SC2=CC=C1
InChIKey
InChIKey=GJTYXEZPPJAWEB-UHFFFAOYSA-N
Formula
C13H13N3O4S
Mass
307.32
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
Anisoles Alkyl aryl ethers Para dioxins Vinylogous esters Thiazoles Heteroaromatic compounds Carboxylic acid hydrazides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Anisole - Alkyl aryl ether - Para-dioxin - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Vinylogous ester - Carboxylic acid hydrazide - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen 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