[(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl] 2-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid [(2R)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-(p-tolylthio)nicotinic acid [(1R)-2-keto-1-methyl-2-pyrrolidino-ethyl] ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OC(C)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)O[C@H](C)C(=O)N3CCCC3

InChI

InChI=1S/C20H22N2O3S/c1-14-7-9-16(10-8-14)26-18-17(6-5-11-21-18)20(24)25-15(2)19(23)22-12-3-4-13-22/h5-11,15H,3-4,12-13H2,1-2H3/t15-/m1/s1