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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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