prop-2-enyl 2-(dimethylcarbamoyl)-4-[[1-prop-2-enoxycarbonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]methyl]pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl 2-(dimethylcarbamoyl)-4-[[1-prop-2-enoxycarbonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]methyl]pyrrolidine-1-carboxylate Openeye Name: allyl 4-[(1-allyloxycarbonyl-4-tritylsulfanyl-pyrrolidin-2-yl)methyl]-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate CAS Name: 2-[dimethylamino(oxo)methyl]-4-[[1-[oxo(prop-2-enoxy)methyl]-4-[(triphenylmethyl)thio]-2-pyrrolidinyl]methyl]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-(dimethylcarbamoyl)-4-[(1-prop-2-enoxycarbonyl-4-tritylsulfanylpyrrolidin-2-yl)methyl]pyrrolidine-1-carboxylate Traditional Name: 4-[[1-allyloxycarbonyl-4-(tritylthio)pyrrolidin-2-yl]methyl]-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid allyl ester Formula: C39H45N3O5S MolecularWeight: 667.8567

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CC(CN1C(=O)OCC=C)CC2CC(CN2C(=O)OCC=C)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN(C)C(=O)C1CC(CN1C(=O)OCC=C)CC2CC(CN2C(=O)OCC=C)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C39H45N3O5S/c1-5-22-46-37(44)41-28-34(26-33(41)24-29-25-35(36(43)40(3)4)42(27-29)38(45)47-23-6-2)48-39(30-16-10-7-11-17-30,31-18-12-8-13-19-31)32-20-14-9-15-21-32/h5-21,29,33-35H,1-2,22-28H2,3-4H3