tert-butyl (2S)-2-(3-phenylprop-2-ynyl)-5-phenylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-(3-phenylprop-2-ynyl)-5-phenylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-(3-phenylprop-2-ynyl)-5-phenylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S)-2-(3-phenylprop-2-ynyl)-5-(phenylthio)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(3-phenylprop-2-ynyl)-5-phenylsulfanylpyrrolidine-1-carboxylate Traditional Name: (2S)-2-(3-phenylprop-2-ynyl)-5-(phenylthio)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C24H27NO2S MolecularWeight: 393.54168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CCC1SC2=CC=CC=C2)CC#CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H](CCC1SC2=CC=CC=C2)CC#CC3=CC=CC=C3

InChI

InChI=1S/C24H27NO2S/c1-24(2,3)27-23(26)25-20(14-10-13-19-11-6-4-7-12-19)17-18-22(25)28-21-15-8-5-9-16-21/h4-9,11-12,15-16,20,22H,14,17-18H2,1-3H3/t20-,22?/m1/s1