prop-2-enyl 2-(iodanylmethyl)-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl 2-(iodanylmethyl)-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl 2-(iodomethyl)-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(iodomethyl)-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-(iodomethyl)-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(iodomethyl)-4-(tritylthio)pyrrolidine-1-carboxylic acid allyl ester Formula: C28H28INO2S MolecularWeight: 569.49689

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1CI)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCOC(=O)N1CC(CC1CI)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H28INO2S/c1-2-18-32-27(31)30-21-26(19-25(30)20-29)33-28(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h2-17,25-26H,1,18-21H2