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

Systemtic Name: [2-oxidanylidene-2-(2-phenylpropylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-(2-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-(2-phenylpropylamino)ethyl] ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=C(N=CC=C1)SC)C2=CC=CC=C2

Isomeric SMILES

CC(CNC(=O)COC(=O)C1=C(N=CC=C1)SC)C2=CC=CC=C2

InChI

InChI=1S/C18H20N2O3S/c1-13(14-7-4-3-5-8-14)11-20-16(21)12-23-18(22)15-9-6-10-19-17(15)24-2/h3-10,13H,11-12H2,1-2H3,(H,20,21)