Compound Identification
SMILES
COC1=CC=C(C=C1)[C@H]1[C@H]2COC(=O)[C@H]2C(C#N)=C2SC3=CC=CC=C3N12
InChIKey
InChIKey=GNSGVAYFCWBUMG-SNRMKQJTSA-N
Formula
C21H16N2O3S
Mass
376.43
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
Phenoxy compounds Anisoles Methoxybenzenes Aryl thioethers Tetrahydropyridines Alkyl aryl ethers Gamma butyrolactones Thiazoles Tetrahydrofurans Ketene acetals Carboxylic acid esters Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Tetrahydropyridine - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Thiazole - Tetrahydrofuran - Carboxylic acid ester - Lactone - Ketene acetal or derivatives - Oxacycle - Carboxylic acid derivative - Azacycle - Ether - Nitrile - Monocarboxylic acid or derivatives - Carbonitrile - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen 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