tert-butyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-sulfanylidene-pyrrolidine-3-carboxylate

Systemtic Name: tert-butyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-sulfanylidene-pyrrolidine-3-carboxylate Openeye Name: tert-butyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-thioxo-pyrrolidine-3-carboxylate CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-sulfanylidene-3-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-sulfanylidenepyrrolidine-3-carboxylate Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-5-thioxo-pyrrolidine-3-carboxylic acid tert-butyl ester Formula: C17H17F6NO2S MolecularWeight: 413.377799

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(=S)N(C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)C1CC(=S)N(C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H17F6NO2S/c1-15(2,3)26-14(25)9-4-13(27)24(8-9)12-6-10(16(18,19)20)5-11(7-12)17(21,22)23/h5-7,9H,4,8H2,1-3H3