Compound Identification
SMILES
COC(=O)CSC1=C(C#N)C(=O)N[C@@H](S1)C1=CC=CC=C1
InChIKey
InChIKey=BMVMKTNMDRHJOF-ZDUSSCGKSA-N
Formula
C14H12N2O3S2
Mass
320.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiazines
- Subclass 1,3-thiazines
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Class
Thiazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiazines
Subclass
1,3-thiazines
Intermediate Tree Nodes
Not available
Direct Parent
1,3-thiazines
Alternative Parents
Vinylogous thioesters Benzene and substituted derivatives Methyl esters Secondary carboxylic acid amides Lactams Ketene acetals Sulfenyl compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Vinylogous thioester - Methyl ester - Carboxamide group - Carboxylic acid ester - Ketene acetal or derivatives - Lactam - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Sulfenyl compound - Azacycle - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-thiazines. These are organic compounds containing 1,3-thiazine, a six-member ring with a nitrogen and a sulfur atoms in ring positions 1 and 3 respectively, as well as two double bonds.
External Descriptors
Not available