[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C18H18N2O4S/c1-3-16(22)20-13-8-6-12(7-9-13)15(21)11-24-18(23)14-5-4-10-19-17(14)25-2/h4-10H,3,11H2,1-2H3,(H,20,22)