Compound Identification
SMILES
NC1=C(C=C2CCOC2=O)C=CS1
InChIKey
InChIKey=KNXOVXNFNWAJFL-UHFFFAOYSA-N
Formula
C9H9NO2S
Mass
195.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactones
- Subclass Gamma butyrolactones
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Class
Lactones
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactones
Subclass
Gamma butyrolactones
Intermediate Tree Nodes
Not available
Direct Parent
Gamma butyrolactones
Alternative Parents
2-aminothiophenes Oxolanes Heteroaromatic compounds Enoate esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Gamma butyrolactone - 2-aminothiophene - Oxolane - Heteroaromatic compound - Thiophene - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Amine - Carbonyl group - Hydrocarbon derivative - Primary amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
External Descriptors
Not available