[2-oxidanylidene-2-(phenethylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O3S/c1-23-16-14(8-5-10-19-16)17(21)22-12-15(20)18-11-9-13-6-3-2-4-7-13/h2-8,10H,9,11-12H2,1H3,(H,18,20)