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

Systemtic Name: [(2R,3R,4S)-3-acetyloxy-2-bromanyl-4-methyl-5-phenylsulfanyl-pentyl] ethanoate Openeye Name: [(2R,3R,4S)-3-acetoxy-2-bromo-4-methyl-5-phenylsulfanyl-pentyl] acetate CAS Name: acetic acid [(2R,3R,4S)-3-acetyloxy-2-bromo-4-methyl-5-(phenylthio)pentyl] ester IUPAC Name: [(2R,3R,4S)-3-acetyloxy-2-bromo-4-methyl-5-phenylsulfanylpentyl] acetate Traditional Name: acetic acid [(2R,3R,4S)-3-acetoxy-2-bromo-4-methyl-5-(phenylthio)pentyl] ester Formula: C16H21BrO4S MolecularWeight: 389.30454

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1)C(C(COC(=O)C)Br)OC(=O)C

Isomeric SMILES

C[C@H](CSC1=CC=CC=C1)[C@H]([C@@H](COC(=O)C)Br)OC(=O)C

InChI

InChI=1S/C16H21BrO4S/c1-11(10-22-14-7-5-4-6-8-14)16(21-13(3)19)15(17)9-20-12(2)18/h4-8,11,15-16H,9-10H2,1-3H3/t11-,15-,16-/m1/s1