1-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-(3,4-difluorophenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-[(3,4-difluorophenyl)thio]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-(3,4-difluorophenyl)sulfanylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-[(3,4-difluorophenyl)thio]propanoyl]proline Formula: C14H15F2NO3S MolecularWeight: 315.335606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCSC2=CC(=C(C=C2)F)F)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CCSC2=CC(=C(C=C2)F)F)C(=O)O

InChI

InChI=1S/C14H15F2NO3S/c15-10-4-3-9(8-11(10)16)21-7-5-13(18)17-6-1-2-12(17)14(19)20/h3-4,8,12H,1-2,5-7H2,(H,19,20)