tert-butyl 1-(phenylmethyl)-5-sulfanylidene-pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-(phenylmethyl)-5-sulfanylidene-pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-benzyl-5-thioxo-pyrrolidine-2-carboxylate CAS Name: 1-(phenylmethyl)-5-sulfanylidene-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-benzyl-5-sulfanylidenepyrrolidine-2-carboxylate Traditional Name: 1-benzyl-5-thioxo-pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C16H21NO2S MolecularWeight: 291.40844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC(=S)N1CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C1CCC(=S)N1CC2=CC=CC=C2

InChI

InChI=1S/C16H21NO2S/c1-16(2,3)19-15(18)13-9-10-14(20)17(13)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3