Compound Identification
SMILES
COC(=O)C(SC(N)=N)C1=CC=C(OCCN(C)C2=NC3=CC=CC=C3O2)C=C1
InChIKey
InChIKey=BRPYYVLPTZKCAJ-UHFFFAOYSA-N
Formula
C20H22N4O4S
Mass
414.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazoles
Alternative Parents
Phenoxy compounds Phenol ethers Dialkylarylamines Alkyl aryl ethers Oxazoles Heteroaromatic compounds Methyl esters Isothioureas Sulfenyl compounds Oxacyclic compounds Carboximidamides Azacyclic compounds Monocarboxylic acids and derivatives Imines Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazole - Phenoxy compound - Dialkylarylamine - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Methyl ester - Oxazole - Carboxylic acid ester - Isothiourea - Carboxylic acid derivative - Oxacycle - Ether - Azacycle - Monocarboxylic acid or derivatives - Sulfenyl compound - Carboximidamide - Imine - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.
External Descriptors
Not available