4-(4-phenylsulfanylphenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(4-phenylsulfanylphenyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(4-phenylsulfanylphenyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[4-(phenylthio)phenyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(4-phenylsulfanylphenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-[4-(phenylthio)phenyl]proline Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)O)C2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

C1C(CNC1C(=O)O)C2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C17H17NO2S/c19-17(20)16-10-13(11-18-16)12-6-8-15(9-7-12)21-14-4-2-1-3-5-14/h1-9,13,16,18H,10-11H2,(H,19,20)