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

Systemtic Name: O-[4,4-bis(4-fluorophenyl)butyl] 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioate Openeye Name: O-[4,4-bis(4-fluorophenyl)butyl] 1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarbothioic acid O-[4,4-bis(4-fluorophenyl)butyl] ester IUPAC Name: O-[4,4-bis(4-fluorophenyl)butyl] 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carbothioic acid O-[4,4-bis(4-fluorophenyl)butyl] ester Formula: C28H33F2NO3S MolecularWeight: 501.628326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=S)OCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=S)OCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C28H33F2NO3S/c1-4-28(2,3)25(32)26(33)31-17-5-8-24(31)27(35)34-18-6-7-23(19-9-13-21(29)14-10-19)20-11-15-22(30)16-12-20/h9-16,23-24H,4-8,17-18H2,1-3H3