[(2R,3R)-3-acetyloxy-4-[(4-bromophenyl)methoxy]-2-ethanoylsulfanyl-butyl] ethanoate

Systemtic Name: [(2R,3R)-3-acetyloxy-4-[(4-bromophenyl)methoxy]-2-ethanoylsulfanyl-butyl] ethanoate Openeye Name: [(2R,3R)-3-acetoxy-2-acetylsulfanyl-4-[(4-bromophenyl)methoxy]butyl] acetate CAS Name: acetic acid [(2R,3R)-3-acetyloxy-2-(acetylthio)-4-[(4-bromophenyl)methoxy]butyl] ester IUPAC Name: [(2R,3R)-3-acetyloxy-2-acetylsulfanyl-4-[(4-bromophenyl)methoxy]butyl] acetate Traditional Name: acetic acid [(2R,3R)-3-acetoxy-2-(acetylthio)-4-(4-bromobenzyl)oxy-butyl] ester Formula: C17H21BrO6S MolecularWeight: 433.31404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(COCC1=CC=C(C=C1)Br)OC(=O)C)SC(=O)C

Isomeric SMILES

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

InChI

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