1-[3,5-bis(trifluoromethyl)phenyl]-5-sulfanylidene-pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-sulfanylidene-pyrrolidine-3-carboxylic acid Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-thioxo-pyrrolidine-3-carboxylic acid CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-sulfanylidene-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-sulfanylidenepyrrolidine-3-carboxylic acid Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-thioxo-pyrrolidine-3-carboxylic acid Formula: C13H9F6NO2S MolecularWeight: 357.271479

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=S)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)O

Isomeric SMILES

C1C(CN(C1=S)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C13H9F6NO2S/c14-12(15,16)7-2-8(13(17,18)19)4-9(3-7)20-5-6(11(21)22)1-10(20)23/h2-4,6H,1,5H2,(H,21,22)