AC1MXKQL structure

AC1MXKQL

methyl 5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-(2-iodophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate

Also Known As: Oprea1_466756|methyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-(2-iodophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate|methyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate

CAS: 369607-72-7
Molecular Formula C18H17IN2O5S
Molecular Weight 499.9903 g/mol
LogP 2.32528
Topological Polar Surface Area 105.49 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 6
Exact Mass 499.9903
Monoisotopic Mass 499.9903
Heavy Atoms 27
Complexity 833.2861

Chemical Identifiers

CAS Number 369607-72-7
SMILES CCOC(=O)CSC1=C(C(C(C(=O)N1)C(=O)OC)C2=CC=CC=C2I)C#N

Product Overview

AC1MXKQL (CAS 369607-72-7), with molecular formula C18H17IN2O5S and molecular weight 499.9903 g/mol. IUPAC: methyl 5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-(2-iodophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.

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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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