1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-2-propyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carbothioate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-2-propyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carbothioate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-2-propyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-propyl-3-[4-(trifluoromethyl)phenyl]-2-pyrrolidinecarbothioate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-2-propyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-2-propyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carbothioate Formula: C22H27F3NO3S- MolecularWeight: 442.51489

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(CCN1C(=O)C(=O)C(C)(C)CC)C2=CC=C(C=C2)C(F)(F)F)C(=S)[O-]

Isomeric SMILES

CCCC1(C(CCN1C(=O)C(=O)C(C)(C)CC)C2=CC=C(C=C2)C(F)(F)F)C(=S)[O-]

InChI

InChI=1S/C22H28F3NO3S/c1-5-12-21(19(29)30)16(14-7-9-15(10-8-14)22(23,24)25)11-13-26(21)18(28)17(27)20(3,4)6-2/h7-10,16H,5-6,11-13H2,1-4H3,(H,29,30)/p-1