Compound Identification
SMILES
CCOC(=O)C1(NC(=O)C2=C(SC=C2)N2C=CC=C12)C#N
InChIKey
InChIKey=CDZHVBBZUDAFFK-UHFFFAOYSA-N
Formula
C14H11N3O3S
Mass
301.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thienodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thienodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thienodiazepines
Alternative Parents
Alpha amino acids and derivatives 1,4-diazepines Vinylogous amides Thiophenes Pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Lactams Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Thieno-para-diazepine - Para-diazepine - Heteroaromatic compound - Pyrrole - Vinylogous amide - Thiophene - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thienodiazepines. These are heteropolycyclic containing a thiophene ring fused to a diazepine ring. Thiophene is 5-membered ring consisting of four carbon and one sulfur atoms. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.
External Descriptors
Not available