Compound Identification
SMILES
CCOP(O)(=O)C(CC)NC(=O)C1=CC2=C(O1)C=CC(NC1=NC3=CC=CC=C3S1)=C2
InChIKey
InChIKey=MQIPSYHNWKPXNP-UHFFFAOYSA-N
Formula
C21H22N3O5PS
Mass
459.46
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
Benzofurans 2-heteroaryl carboxamides Furoic acid and derivatives Phosphonic acid esters 2-amino-1,3-thiazoles Benzenoids Organic phosphonic acids Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organophosphorus compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzofuran - 1,3-benzothiazole - 2-heteroaryl carboxamide - Furoic acid or derivatives - 1,3-thiazol-2-amine - Benzenoid - Phosphonic acid ester - Azole - Heteroaromatic compound - Furan - Thiazole - Organophosphonic acid - Organophosphonic acid derivative - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Azacycle - Secondary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organophosphorus compound - Organonitrogen compound - Organooxygen 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