Compound Identification
SMILES
CC(C)NC(=O)NC1=CC2=C(C=C1)C(Cl)=C(OCCSC(N)=[NH2+])OC2=O
InChIKey
InChIKey=GCEHGPORXBRCEB-UHFFFAOYSA-O
Formula
C16H20ClN4O4S
Mass
399.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isocoumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarins and derivatives
Alternative Parents
2-benzopyrans Pyranones and derivatives Alkyl aryl ethers Aryl chlorides Benzenoids Heteroaromatic compounds Ureas Lactones Sulfenyl compounds Oxacyclic compounds Carboximidamides Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumarin - Benzopyran - 2-benzopyran - Alkyl aryl ether - Pyranone - Aryl chloride - Benzenoid - Aryl halide - Pyran - Heteroaromatic compound - Lactone - Urea - Oxacycle - Organoheterocyclic compound - Ether - Sulfenyl compound - Carboximidamide - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.
External Descriptors
Not available