tert-butyl (3E)-2-oxidanylidene-3-[[1-prop-2-enoxycarbonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]methylidene]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3E)-2-oxidanylidene-3-[[1-prop-2-enoxycarbonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]methylidene]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3E)-3-[(1-allyloxycarbonyl-4-tritylsulfanyl-pyrrolidin-2-yl)methylene]-2-oxo-pyrrolidine-1-carboxylate CAS Name: (3E)-2-oxo-3-[[1-[oxo(prop-2-enoxy)methyl]-4-[(triphenylmethyl)thio]-2-pyrrolidinyl]methylidene]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3E)-2-oxo-3-[(1-prop-2-enoxycarbonyl-4-tritylsulfanylpyrrolidin-2-yl)methylidene]pyrrolidine-1-carboxylate Traditional Name: (3E)-3-[[1-allyloxycarbonyl-4-(tritylthio)pyrrolidin-2-yl]methylene]-2-keto-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C37H40N2O5S MolecularWeight: 624.7889

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=CC2CC(CN2C(=O)OCC=C)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C1=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC/C(=C\C2CC(CN2C(=O)OCC=C)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)/C1=O

InChI

InChI=1S/C37H40N2O5S/c1-5-23-43-34(41)39-26-32(25-31(39)24-27-21-22-38(33(27)40)35(42)44-36(2,3)4)45-37(28-15-9-6-10-16-28,29-17-11-7-12-18-29)30-19-13-8-14-20-30/h5-20,24,31-32H,1,21-23,25-26H2,2-4H3/b27-24+