[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O3S/c24-19(23-14-16-8-3-1-4-9-16)15-26-21(25)18-12-7-13-22-20(18)27-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,23,24)