ethyl (2S,3S,4S)-2,5,5-trimethyl-1-[(1S)-1-phenylethyl]-4-phenylsulfanyl-pyrrolidine-3-carboxylate

Systemtic Name: ethyl (2S,3S,4S)-2,5,5-trimethyl-1-[(1S)-1-phenylethyl]-4-phenylsulfanyl-pyrrolidine-3-carboxylate Openeye Name: ethyl (2S,3S,4S)-2,5,5-trimethyl-1-[(1S)-1-phenylethyl]-4-phenylsulfanyl-pyrrolidine-3-carboxylate CAS Name: (2S,3S,4S)-2,5,5-trimethyl-1-[(1S)-1-phenylethyl]-4-(phenylthio)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S,4S)-2,5,5-trimethyl-1-[(1S)-1-phenylethyl]-4-phenylsulfanylpyrrolidine-3-carboxylate Traditional Name: (2S,3S,4S)-2,5,5-trimethyl-1-[(1S)-1-phenylethyl]-4-(phenylthio)pyrrolidine-3-carboxylic acid ethyl ester Formula: C24H31NO2S MolecularWeight: 397.57344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N(C(C1SC2=CC=CC=C2)(C)C)C(C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)[C@@H]1[C@@H](N(C([C@H]1SC2=CC=CC=C2)(C)C)[C@@H](C)C3=CC=CC=C3)C

InChI

InChI=1S/C24H31NO2S/c1-6-27-23(26)21-18(3)25(17(2)19-13-9-7-10-14-19)24(4,5)22(21)28-20-15-11-8-12-16-20/h7-18,21-22H,6H2,1-5H3/t17-,18-,21+,22-/m0/s1