Compound Identification
SMILES
COC1=CC2=C(C=C1)N=C(NC(=O)C(=O)[C@H](C#N)C1=CC=C(C=C1)[N+]([O-])=O)S2
InChIKey
InChIKey=FSYUBUCFECOFOM-CYBMUJFWSA-N
Formula
C18H12N4O5S
Mass
396.38
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
Nitrobenzenes Anisoles N-arylamides Nitroaromatic compounds Alkyl aryl ethers Fatty amides Thiazoles Heteroaromatic compounds Ketones Secondary carboxylic acid amides Nitriles Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Nitrobenzene - Nitroaromatic compound - Anisole - N-arylamide - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Fatty amide - Fatty acyl - Heteroaromatic compound - Thiazole - Azole - Ketone - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Cyanide - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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