4-(3-phenylpropyl)-5-sulfanylidene-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-phenylpropyl)-5-sulfanylidene-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-phenylpropyl)-5-thioxo-pyrrolidine-2-carboxylic acid CAS Name: 4-(3-phenylpropyl)-5-sulfanylidene-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-phenylpropyl)-5-sulfanylidenepyrrolidine-2-carboxylic acid Traditional Name: 4-(3-phenylpropyl)-5-thioxo-proline Formula: C14H17NO2S MolecularWeight: 263.35528

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=S)NC1C(=O)O)CCCC2=CC=CC=C2

Isomeric SMILES

C1C(C(=S)NC1C(=O)O)CCCC2=CC=CC=C2

InChI

InChI=1S/C14H17NO2S/c16-14(17)12-9-11(13(18)15-12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,18)(H,16,17)