1-(2-phenylethanethioyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-phenylethanethioyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-phenylethanethioyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(2-phenyl-1-sulfanylideneethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-phenylethanethioyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(2-phenylthioacetyl)proline Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=S)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H15NO2S/c15-13(16)11-7-4-8-14(11)12(17)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16)