diethyl-[2-oxo-2-(4-phenylsulfanylanilino)ethyl]azanium2-hydroxy-2-oxoacetate

diethyl-[2-oxo-2-(4-phenylsulfanylanilino)ethyl]azanium;2-hydroxy-2-oxoacetate

CAS: 77711-55-8

Molecular Formula	`C20H24N2O5S`
Molecular Weight	404.5 g/mol
Topological Polar Surface Area	136.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	404.1406
Heavy Atoms	28
Complexity	397.0

Chemical Identifiers

CAS Number	77711-55-8
SMILES	`CC[NH+](CC)CC(=O)NC1=CC=C(C=C1)SC2=CC=CC=C2.C(=O)(C(=O)[O-])O`
InChIKey	`RWOWDHGGFAHHJV-UHFFFAOYSA-N`

📖 Product Overview

diethyl-[2-oxo-2-(4-phenylsulfanylanilino)ethyl]azanium2-hydroxy-2-oxoacetate (CAS: 77711-55-8) is a chemical compound with molecular formula C20H24N2O5S and molecular weight 404.5 g/mol. Its IUPAC systematic name is diethyl-[2-oxo-2-(4-phenylsulfanylanilino)ethyl]azanium;2-hydroxy-2-oxoacetate. Topological Polar Surface Area 136.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 7 Exact Mass 404.1406 Heavy Atoms 28 Complexity 397.0 InChI Key: RWOWDHGGFAHHJV-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CC(=O)NC1=CC=C(C=C1)SC2=CC=CC=C2.C(=O)(C(=O)[O-])O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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