Compound Identification
SMILES
O=C(OCC1=COC(=N1)C1=CC=CS1)\C=C\C(=O)OCC1=COC(=N1)C1=CC=CS1
InChIKey
InChIKey=MEMHSLMOTZEWNP-AATRIKPKSA-N
Formula
C20H14N2O6S2
Mass
442.46
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Oxazoles
- Level 5 2,4-disubstituted oxazoles
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Subclass
Oxazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Oxazoles
Intermediate Tree Nodes
Not available
Direct Parent
2,4-disubstituted oxazoles
Alternative Parents
Fatty acid esters Dicarboxylic acids and derivatives Thiophenes Heteroaromatic compounds Enoate esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4-disubstituted 1,3-oxazole - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Thiophene - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Oxacycle - Carboxylic acid derivative - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2,4-disubstituted oxazoles. These are compounds containing an oxazole ring substituted at positions 2 and 4 only. Oxazole is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole.
External Descriptors
Not available