[(2R,3S)-3-acetyloxy-1-[(4-bromophenyl)methoxy]-4-ethanoylsulfanyl-butan-2-yl] ethanoate

Systemtic Name: [(2R,3S)-3-acetyloxy-1-[(4-bromophenyl)methoxy]-4-ethanoylsulfanyl-butan-2-yl] ethanoate Openeye Name: [(1R,2S)-2-acetoxy-3-acetylsulfanyl-1-[(4-bromophenyl)methoxymethyl]propyl] acetate CAS Name: acetic acid [(2R,3S)-3-acetyloxy-4-(acetylthio)-1-[(4-bromophenyl)methoxy]butan-2-yl] ester IUPAC Name: [(2R,3S)-3-acetyloxy-4-acetylsulfanyl-1-[(4-bromophenyl)methoxy]butan-2-yl] acetate Traditional Name: acetic acid [(1R,2S)-2-acetoxy-3-(acetylthio)-1-[(4-bromobenzyl)oxymethyl]propyl] ester Formula: C17H21BrO6S MolecularWeight: 433.31404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(COCC1=CC=C(C=C1)Br)C(CSC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)O[C@H](COCC1=CC=C(C=C1)Br)[C@@H](CSC(=O)C)OC(=O)C

InChI

InChI=1S/C17H21BrO6S/c1-11(19)23-16(17(24-12(2)20)10-25-13(3)21)9-22-8-14-4-6-15(18)7-5-14/h4-7,16-17H,8-10H2,1-3H3/t16-,17-/m1/s1