Structure Information
Structure

Compound Identification

SMILES

OC(C(=O)NC1[C@@H]2SCC(Cl)=C(N2C1=O)C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O)C1=CC=CC=C1C=O

InChIKey

InChIKey=YLCCBMRBEHSVBM-FQVRHNBASA-N

Formula

C23H18ClN3O8S

Mass

531.92

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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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Phenylacetamide - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Benzaldehyde - Benzoyl - Aryl-aldehyde - Monocyclic benzene moiety - Meta-thiazine - Benzenoid - Tertiary carboxylic acid amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Vinylogous halide - Azetidine - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary alcohol - Secondary carboxylic acid amide - Hemithioaminal - Thioether - Dialkylthioether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Vinyl halide - Vinyl chloride - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Chloroalkene - Haloalkene - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic salt - Aldehyde - Carbonyl group - Alcohol - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Aromatic alcohol - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - 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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