Compound Identification
SMILES
OCC1(OC(=O)C(O)=C1SC1=NC2=CC=CC=C2O1)C(S)C1=NC2=CC=CC=C2O1
InChIKey
InChIKey=TUPMQTYDNKBEDY-UHFFFAOYSA-N
Formula
C20H14N2O6S2
Mass
442.46
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
Aryl thioethers Vinylogous thioesters Benzenoids Butenolides Oxazoles Enoate esters Heteroaromatic compounds Thioenol ethers Lactones Alkylthiols Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Primary alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazole - Aryl thioether - 2-furanone - Benzenoid - Vinylogous thioester - Azole - Dihydrofuran - Oxazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Thioenolether - Carboxylic acid ester - Lactone - Oxacycle - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Alkylthiol - Monocarboxylic acid or derivatives - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Alcohol - 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