[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [(2S)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [(1S)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O3S/c1-16(20(25)24-15-17-9-4-2-5-10-17)27-22(26)19-13-8-14-23-21(19)28-18-11-6-3-7-12-18/h2-14,16H,15H2,1H3,(H,24,25)/t16-/m0/s1