[(2R,3R,4S)-3-acetyloxy-2-bromanyl-4-methyl-5-[(S)-phenylsulfinyl]pentyl] ethanoate

Systemtic Name: [(2R,3R,4S)-3-acetyloxy-2-bromanyl-4-methyl-5-[(S)-phenylsulfinyl]pentyl] ethanoate Openeye Name: [(2R,3R,4S)-3-acetoxy-2-bromo-4-methyl-5-[(S)-phenylsulfinyl]pentyl] acetate CAS Name: acetic acid [(2R,3R,4S)-3-acetyloxy-2-bromo-4-methyl-5-[(S)-phenylsulfinyl]pentyl] ester IUPAC Name: [(2R,3R,4S)-3-acetyloxy-2-bromo-4-methyl-5-[(S)-phenylsulfinyl]pentyl] acetate Traditional Name: acetic acid [(2R,3R,4S)-3-acetoxy-2-bromo-4-methyl-5-[(S)-phenylsulfinyl]pentyl] ester Formula: C16H21BrO5S MolecularWeight: 407.3037

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)C1=CC=CC=C1)C(C(COC(=O)C)Br)OC(=O)C

Isomeric SMILES

C[C@H](C[S@](=[18O])C1=CC=CC=C1)[C@H]([C@@H](COC(=O)C)Br)OC(=O)C

InChI

InChI=1S/C16H21BrO5S/c1-11(10-23(20)14-7-5-4-6-8-14)16(22-13(3)19)15(17)9-21-12(2)18/h4-8,11,15-16H,9-10H2,1-3H3/t11-,15-,16-,23+/m1/s1/i20+2