[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCC3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCCC3

InChI

InChI=1S/C19H20N2O3S/c1-25-17-15(10-7-11-20-17)19(23)24-16(14-8-3-2-4-9-14)18(22)21-12-5-6-13-21/h2-4,7-11,16H,5-6,12-13H2,1H3/t16-/m1/s1