1-(phenylmethyl)-5-sulfanylidene-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(phenylmethyl)-5-sulfanylidene-pyrrolidine-2-carboxylic acid Openeye Name: 1-benzyl-5-thioxo-pyrrolidine-2-carboxylic acid CAS Name: 1-(phenylmethyl)-5-sulfanylidene-2-pyrrolidinecarboxylic acid IUPAC Name: 1-benzyl-5-sulfanylidenepyrrolidine-2-carboxylic acid Traditional Name: 1-benzyl-5-thioxo-proline Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=S)N(C1C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

C1CC(=S)N(C1C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C12H13NO2S/c14-12(15)10-6-7-11(16)13(10)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)