(4R,5S)-6-bromanyl-3-ethyl-5-methyl-4-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: (4R,5S)-6-bromanyl-3-ethyl-5-methyl-4-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4-oxidanyl-cyclohex-2-en-1-one Openeye Name: (4R,5S)-6-bromo-3-ethyl-4-hydroxy-5-methyl-4-[[(R)-p-tolylsulfinyl]methyl]cyclohex-2-en-1-one CAS Name: (4R,5S)-6-bromo-3-ethyl-4-hydroxy-5-methyl-4-[[(R)-(4-methylphenyl)sulfinyl]methyl]-1-cyclohex-2-enone IUPAC Name: (4R,5S)-6-bromo-3-ethyl-4-hydroxy-5-methyl-4-[[(R)-(4-methylphenyl)sulfinyl]methyl]cyclohex-2-en-1-one Traditional Name: (4R,5S)-6-bromo-3-ethyl-4-hydroxy-5-methyl-4-[[(R)-p-tolylsulfinyl]methyl]cyclohex-2-en-1-one Formula: C17H21BrO3S MolecularWeight: 385.31584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)C(C(C1(CS(=O)C2=CC=C(C=C2)C)O)C)Br

Isomeric SMILES

CCC1=CC(=O)C([C@H]([C@@]1(C[S@@](=O)C2=CC=C(C=C2)C)O)C)Br

InChI

InChI=1S/C17H21BrO3S/c1-4-13-9-15(19)16(18)12(3)17(13,20)10-22(21)14-7-5-11(2)6-8-14/h5-9,12,16,20H,4,10H2,1-3H3/t12-,16?,17-,22-/m1/s1