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

Systemtic Name: [2-oxidanylidene-2-(2-phenylpropylamino)ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-oxo-2-(2-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-keto-2-(2-phenylpropylamino)ethyl] ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H22N2O3S/c1-17(18-9-4-2-5-10-18)15-25-21(26)16-28-23(27)20-13-8-14-24-22(20)29-19-11-6-3-7-12-19/h2-14,17H,15-16H2,1H3,(H,25,26)