2-[4,4-bis(4-fluorophenyl)butyl]-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioate

Systemtic Name: 2-[4,4-bis(4-fluorophenyl)butyl]-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioate Openeye Name: 2-[4,4-bis(4-fluorophenyl)butyl]-1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carbothioate CAS Name: 2-[4,4-bis(4-fluorophenyl)butyl]-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarbothioate IUPAC Name: 2-[4,4-bis(4-fluorophenyl)butyl]-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbothioate Traditional Name: 2-[4,4-bis(4-fluorophenyl)butyl]-1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carbothioate Formula: C28H32F2NO3S- MolecularWeight: 500.620386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=S)[O-]

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=S)[O-]

InChI

InChI=1S/C28H33F2NO3S/c1-4-27(2,3)24(32)25(33)31-18-6-17-28(31,26(34)35)16-5-7-23(19-8-12-21(29)13-9-19)20-10-14-22(30)15-11-20/h8-15,23H,4-7,16-18H2,1-3H3,(H,34,35)/p-1