methyl (2S,3R,4S)-2-bromanyl-4-methyl-3-oxidanyl-5-(phenylsulfinyl)pentanoate

Systemtic Name: methyl (2S,3R,4S)-2-bromanyl-4-methyl-3-oxidanyl-5-(phenylsulfinyl)pentanoate Openeye Name: methyl (2S,3R,4S)-5-(benzenesulfinyl)-2-bromo-3-hydroxy-4-methyl-pentanoate CAS Name: (2S,3R,4S)-5-(benzenesulfinyl)-2-bromo-3-hydroxy-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3R,4S)-5-(benzenesulfinyl)-2-bromo-3-hydroxy-4-methylpentanoate Traditional Name: (2S,3R,4S)-5-(benzenesulfinyl)-2-bromo-3-hydroxy-4-methyl-valeric acid methyl ester Formula: C13H17BrO4S MolecularWeight: 349.24068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrO4S/c1-9(12(15)11(14)13(16)18-2)8-19(17)10-6-4-3-5-7-10/h3-7,9,11-12,15H,8H2,1-2H3/t9-,11+,12-,19?/m1/s1