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

Systemtic Name: [(2S,3R)-4-[(4-bromophenyl)methoxy]-3-oxidanyl-1-sulfanyl-butan-2-yl] ethanoate Openeye Name: [(1S,2R)-3-[(4-bromophenyl)methoxy]-2-hydroxy-1-(sulfanylmethyl)propyl] acetate CAS Name: acetic acid [(2S,3R)-4-[(4-bromophenyl)methoxy]-3-hydroxy-1-mercaptobutan-2-yl] ester IUPAC Name: [(2S,3R)-4-[(4-bromophenyl)methoxy]-3-hydroxy-1-sulfanylbutan-2-yl] acetate Traditional Name: acetic acid [(1S,2R)-3-(4-bromobenzyl)oxy-2-hydroxy-1-(mercaptomethyl)propyl] ester Formula: C13H17BrO4S MolecularWeight: 349.24068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrO4S/c1-9(15)18-13(8-19)12(16)7-17-6-10-2-4-11(14)5-3-10/h2-5,12-13,16,19H,6-8H2,1H3/t12-,13-/m1/s1