S-phenyl (2S)-2-bromanyl-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioate

Systemtic Name: S-phenyl (2S)-2-bromanyl-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioate Openeye Name: S-phenyl (2S)-2-bromo-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioate CAS Name: (2S)-2-bromo-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioic acid S-phenyl ester IUPAC Name: S-phenyl (2S)-2-bromo-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioate Traditional Name: (2S)-2-bromo-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioic acid S-phenyl ester Formula: C13H15BrO3S MolecularWeight: 331.2254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)C(C(=O)SC2=CC=CC=C2)Br)C

Isomeric SMILES

CC1(OC[C@@H](O1)[C@@H](C(=O)SC2=CC=CC=C2)Br)C

InChI

InChI=1S/C13H15BrO3S/c1-13(2)16-8-10(17-13)11(14)12(15)18-9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3/t10-,11+/m1/s1