[(2S)-1-oxidanylidene-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2R)-2-phenylbutyl]amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [(2S)-1-oxo-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [(1S)-2-keto-1-methyl-2-[[(2R)-2-phenylbutyl]amino]ethyl] ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC(=O)C1=C(N=CC=C1)SC)C2=CC=CC=C2

Isomeric SMILES

CC[C@@H](CNC(=O)[C@H](C)OC(=O)C1=C(N=CC=C1)SC)C2=CC=CC=C2

InChI

InChI=1S/C20H24N2O3S/c1-4-15(16-9-6-5-7-10-16)13-22-18(23)14(2)25-20(24)17-11-8-12-21-19(17)26-3/h5-12,14-15H,4,13H2,1-3H3,(H,22,23)/t14-,15-/m0/s1