[(2S,3R)-1-fluoranyl-6-methyl-3-(4-methylphenyl)sulfinyl-hept-5-en-2-yl] benzoate

Systemtic Name: [(2S,3R)-1-fluoranyl-6-methyl-3-(4-methylphenyl)sulfinyl-hept-5-en-2-yl] benzoate Openeye Name: [(1S,2R)-1-(fluoromethyl)-5-methyl-2-(p-tolylsulfinyl)hex-4-enyl] benzoate CAS Name: benzoic acid [(2S,3R)-1-fluoro-6-methyl-3-(4-methylphenyl)sulfinylhept-5-en-2-yl] ester IUPAC Name: [(2S,3R)-1-fluoro-6-methyl-3-(4-methylphenyl)sulfinylhept-5-en-2-yl] benzoate Traditional Name: benzoic acid [(1S,2R)-1-(fluoromethyl)-5-methyl-2-(p-tolylsulfinyl)hex-4-enyl] ester Formula: C22H25FO3S MolecularWeight: 388.495503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C(CC=C(C)C)C(CF)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)[C@H](CC=C(C)C)[C@H](CF)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H25FO3S/c1-16(2)9-14-21(27(25)19-12-10-17(3)11-13-19)20(15-23)26-22(24)18-7-5-4-6-8-18/h4-13,20-21H,14-15H2,1-3H3/t20-,21+,27?/m0/s1