Structure Information
Structure

Compound Identification

SMILES

CSC1=C(N2[C@H](SC1)[C@H](NC(=O)C(N)C1=CC(Cl)=C(O)C=C1)C2=O)C(O)=O

InChIKey

InChIKey=ZYSLMYVNRJALOB-HUFXEGEASA-N

Formula

C16H16ClN3O5S2

Mass

429.89

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactams

Subclass

Beta lactams

Intermediate Tree Nodes

Cephems

Direct Parent

Cephalosporins

Alternative Parents

N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides O-chlorophenols 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Chlorobenzenes Vinylogous thioesters 1,3-thiazines Aryl chlorides Tertiary carboxylic acid amides Thioenol ethers Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Monoalkylamines

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenylacetamide - 2-chlorophenol - 2-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Aralkylamine - Phenol - Meta-thiazine - Aryl chloride - Vinylogous thioester - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Amino acid or derivatives - Secondary carboxylic acid amide - Thioenolether - Carboxamide group - Amino acid - Azetidine - Azacycle - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxide - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.

External Descriptors

Not available

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