[2-oxidanylidene-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-keto-2-[(1-phenylcyclopropyl)methylamino]ethyl] ester Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(CNC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC1(CNC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H22N2O3S/c27-21(26-17-24(13-14-24)18-8-3-1-4-9-18)16-29-23(28)20-12-7-15-25-22(20)30-19-10-5-2-6-11-19/h1-12,15H,13-14,16-17H2,(H,26,27)