ethyl (2S,3R)-3-(methylsulfanylmethyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S,3R)-3-(methylsulfanylmethyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate Openeye Name: ethyl (2S,3R)-3-(methylsulfanylmethyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate CAS Name: (2S,3R)-3-[(methylthio)methyl]-1-[(1S)-1-phenylethyl]-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R)-3-(methylsulfanylmethyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate Traditional Name: (2S,3R)-3-[(methylthio)methyl]-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylic acid ethyl ester Formula: C17H25NO2S MolecularWeight: 307.4509

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CCN1C(C)C2=CC=CC=C2)CSC

Isomeric SMILES

CCOC(=O)[C@@H]1[C@@H](CCN1[C@@H](C)C2=CC=CC=C2)CSC

InChI

InChI=1S/C17H25NO2S/c1-4-20-17(19)16-15(12-21-3)10-11-18(16)13(2)14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3/t13-,15-,16-/m0/s1