(phenylmethyl) (2S)-1-(2-propylsulfanylpyridin-3-yl)carbonylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-(2-propylsulfanylpyridin-3-yl)carbonylpyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-(2-propylsulfanylpyridine-3-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[oxo-[2-(propylthio)-3-pyridinyl]methyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-(2-propylsulfanylpyridine-3-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-(propylthio)nicotinoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC=N1)C(=O)N2CCCC2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCSC1=C(C=CC=N1)C(=O)N2CCC[C@H]2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-2-14-27-19-17(10-6-12-22-19)20(24)23-13-7-11-18(23)21(25)26-15-16-8-4-3-5-9-16/h3-6,8-10,12,18H,2,7,11,13-15H2,1H3/t18-/m0/s1