S-tert-butyl (3S)-3-(3-fluorophenyl)-5-oxidanylidene-hexanethioate

Systemtic Name: S-tert-butyl (3S)-3-(3-fluorophenyl)-5-oxidanylidene-hexanethioate Openeye Name: S-tert-butyl (3S)-3-(3-fluorophenyl)-5-oxo-hexanethioate CAS Name: (3S)-3-(3-fluorophenyl)-5-oxohexanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (3S)-3-(3-fluorophenyl)-5-oxohexanethioate Traditional Name: (3S)-3-(3-fluorophenyl)-5-keto-hexanethioic acid S-tert-butyl ester Formula: C16H21FO2S MolecularWeight: 296.400143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CC(=O)SC(C)(C)C)C1=CC(=CC=C1)F

Isomeric SMILES

CC(=O)C[C@@H](CC(=O)SC(C)(C)C)C1=CC(=CC=C1)F

InChI

InChI=1S/C16H21FO2S/c1-11(18)8-13(10-15(19)20-16(2,3)4)12-6-5-7-14(17)9-12/h5-7,9,13H,8,10H2,1-4H3/t13-/m0/s1