tert-butyl (2S)-2-[(Z)-3-phenylsulfanylprop-2-enyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(Z)-3-phenylsulfanylprop-2-enyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(Z)-3-phenylsulfanylallyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(Z)-3-(phenylthio)prop-2-enyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(Z)-3-phenylsulfanylprop-2-enyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(Z)-3-(phenylthio)allyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H25NO2S MolecularWeight: 319.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1CC=CSC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C/C=C\SC2=CC=CC=C2

InChI

InChI=1S/C18H25NO2S/c1-18(2,3)21-17(20)19-13-7-9-15(19)10-8-14-22-16-11-5-4-6-12-16/h4-6,8,11-12,14-15H,7,9-10,13H2,1-3H3/b14-8-/t15-/m0/s1