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

Systemtic Name: O-[3,3-bis(4-fluorophenyl)propyl] 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidine-2-carbothioate Openeye Name: O-[3,3-bis(4-fluorophenyl)propyl] 1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarbothioic acid O-[3,3-bis(4-fluorophenyl)propyl] ester IUPAC Name: O-[3,3-bis(4-fluorophenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidine-2-carbothioic acid O-[3,3-bis(4-fluorophenyl)propyl] ester Formula: C27H31F2NO3S MolecularWeight: 487.601746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31F2NO3S/c1-4-27(2,3)24(31)25(32)30-16-5-6-23(30)26(34)33-17-15-22(18-7-11-20(28)12-8-18)19-9-13-21(29)14-10-19/h7-14,22-23H,4-6,15-17H2,1-3H3