prop-2-enyl 2-[(3,3-diphenylpropylamino)methyl]-4-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl 2-[(3,3-diphenylpropylamino)methyl]-4-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]pyrrolidine-1-carboxylate Openeye Name: allyl 4-tert-butoxycarbonylsulfanyl-2-[(3,3-diphenylpropylamino)methyl]pyrrolidine-1-carboxylate CAS Name: 2-[(3,3-diphenylpropylamino)methyl]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]thio]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-[(3,3-diphenylpropylamino)methyl]-4-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]pyrrolidine-1-carboxylate Traditional Name: 4-(tert-butoxycarbonylthio)-2-[(3,3-diphenylpropylamino)methyl]pyrrolidine-1-carboxylic acid allyl ester Formula: C29H38N2O4S MolecularWeight: 510.68802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)SC1CC(N(C1)C(=O)OCC=C)CNCCC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)SC1CC(N(C1)C(=O)OCC=C)CNCCC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H38N2O4S/c1-5-18-34-27(32)31-21-25(36-28(33)35-29(2,3)4)19-24(31)20-30-17-16-26(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h5-15,24-26,30H,1,16-21H2,2-4H3