Compound Identification
SMILES
COC(=O)C1=CC(=O)N2C(SC3=C2C=CC(OC)=C3)=N1
InChIKey
InChIKey=HMIUEFNLVJGERJ-UHFFFAOYSA-N
Formula
C13H10N2O4S
Mass
290.29
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
Pyrimidinecarboxylic acids Anisoles Pyrimidones Alkyl aryl ethers Thiazoles Methyl esters Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - Anisole - Alkyl aryl ether - Pyrimidone - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Methyl ester - Thiazole - Carboxylic acid ester - Lactam - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - 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