Compound Identification
SMILES
COC(=O)CCN1C(SC2=C1C=CC(=C2)[N+]([O-])=O)=NC(=O)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=WQSYKDNTXKKHCF-UHFFFAOYSA-N
Formula
C19H14N4O5S
Mass
410.4
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
Benzoic acids and derivatives Benzonitriles Nitroaromatic compounds Benzoyl derivatives Thiazoles Methyl esters Heteroaromatic compounds Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Monocarboxylic acids and derivatives Organic salts Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid or derivatives - 1,3-benzothiazole - Nitroaromatic compound - Benzonitrile - Benzoyl - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Methyl ester - C-nitro compound - Isothiourea - Carboxylic acid ester - Organic nitro compound - Monocarboxylic acid or derivatives - Azacycle - Nitrile - Carbonitrile - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Cyanide - Organic cation - 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