tert-butyl 2-[(4-iodophenyl)sulfanylmethyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[(4-iodophenyl)sulfanylmethyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[(4-iodophenyl)sulfanylmethyl]pyrrolidine-1-carboxylate CAS Name: 2-[[(4-iodophenyl)thio]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-iodophenyl)sulfanylmethyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[(4-iodophenyl)thio]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C16H22INO2S MolecularWeight: 419.32085

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1CSC2=CC=C(C=C2)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1CSC2=CC=C(C=C2)I

InChI

InChI=1S/C16H22INO2S/c1-16(2,3)20-15(19)18-10-4-5-13(18)11-21-14-8-6-12(17)7-9-14/h6-9,13H,4-5,10-11H2,1-3H3