Compound Identification
SMILES
CCN=C1SC(C(=O)OC)=C(N)C1=C(C)CC
InChIKey
InChIKey=GJTRSMNWTIUMGR-UHFFFAOYSA-N
Formula
C12H18N2O2S
Mass
254.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
-
Class
Imidothioesters
- Subclass Imidothiolactones
-
Class
Imidothioesters
-
Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Imidothioesters
Subclass
Imidothiolactones
Intermediate Tree Nodes
Not available
Direct Parent
Imidothiolactones
Alternative Parents
Vinylogous amides Methyl esters Enoate esters Dihydrothiophenes Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Enamines Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Imidothiolactone - 2,3-dihydrothiophene - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organooxygen compound - Primary amine - Amine - Organic oxide - Carbonyl group - Organic nitrogen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as imidothiolactones. These are analogs of imidolactones where the oxygen atom is replaced by a sulfur atom. They have the general structure RC(=N)SR' where the central carbon atom is part of a ring. R,R' = organyl group.
External Descriptors
Not available