O3-tert-butyl O1-methyl (2S)-2-fluoranyl-2-phenylsulfanyl-propanedioate

Systemtic Name: O3-tert-butyl O1-methyl (2S)-2-fluoranyl-2-phenylsulfanyl-propanedioate Openeye Name: O1-tert-butyl O3-methyl (2S)-2-fluoro-2-phenylsulfanyl-propanedioate CAS Name: (2S)-2-fluoro-2-(phenylthio)propanedioic acid O3-tert-butyl ester O1-methyl ester IUPAC Name: 3-O-tert-butyl 1-O-methyl (2S)-2-fluoro-2-phenylsulfanylpropanedioate Traditional Name: (2S)-2-fluoro-2-(phenylthio)malonic acid O1-tert-butyl ester O3-methyl ester Formula: C14H17FO4S MolecularWeight: 300.345783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=O)OC)(F)SC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)[C@@](C(=O)OC)(F)SC1=CC=CC=C1

InChI

InChI=1S/C14H17FO4S/c1-13(2,3)19-12(17)14(15,11(16)18-4)20-10-8-6-5-7-9-10/h5-9H,1-4H3/t14-/m0/s1