tert-butyl 2-[(Z)-(2-oxidanylidenepyrrolidin-3-ylidene)methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[(Z)-(2-oxidanylidenepyrrolidin-3-ylidene)methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[(Z)-(2-oxopyrrolidin-3-ylidene)methyl]-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(Z)-(2-oxo-3-pyrrolidinylidene)methyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(Z)-(2-oxopyrrolidin-3-ylidene)methyl]-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(Z)-(2-ketopyrrolidin-3-ylidene)methyl]-4-(tritylthio)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C33H36N2O3S MolecularWeight: 540.71554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C=C2CCNC2=O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1/C=C\2/CCNC2=O)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H36N2O3S/c1-32(2,3)38-31(37)35-23-29(22-28(35)21-24-19-20-34-30(24)36)39-33(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,21,28-29H,19-20,22-23H2,1-3H3,(H,34,36)/b24-21-