methyl (2S)-1-(phenylmethyl)-5-sulfanylidene-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-(phenylmethyl)-5-sulfanylidene-pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-benzyl-5-thioxo-pyrrolidine-2-carboxylate CAS Name: (2S)-1-(phenylmethyl)-5-sulfanylidene-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-benzyl-5-sulfanylidenepyrrolidine-2-carboxylate Traditional Name: (2S)-1-benzyl-5-thioxo-pyrrolidine-2-carboxylic acid methyl ester Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(=S)N1CC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@H]1CCC(=S)N1CC2=CC=CC=C2

InChI

InChI=1S/C13H15NO2S/c1-16-13(15)11-7-8-12(17)14(11)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-/m0/s1