[(2S,3S)-2-(fluoranylmethyl)-3-(4-methylphenyl)sulfanyl-2-oxidanyl-butyl] benzoate

Systemtic Name: [(2S,3S)-2-(fluoranylmethyl)-3-(4-methylphenyl)sulfanyl-2-oxidanyl-butyl] benzoate Openeye Name: [(2S,3S)-2-(fluoromethyl)-2-hydroxy-3-(p-tolylsulfanyl)butyl] benzoate CAS Name: benzoic acid [(2S,3S)-2-(fluoromethyl)-2-hydroxy-3-[(4-methylphenyl)thio]butyl] ester IUPAC Name: [(2S,3S)-2-(fluoromethyl)-2-hydroxy-3-(4-methylphenyl)sulfanylbutyl] benzoate Traditional Name: benzoic acid [(2S,3S)-2-(fluoromethyl)-2-hydroxy-3-(p-tolylthio)butyl] ester Formula: C19H21FO3S MolecularWeight: 348.431643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(COC(=O)C2=CC=CC=C2)(CF)O

Isomeric SMILES

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

InChI

InChI=1S/C19H21FO3S/c1-14-8-10-17(11-9-14)24-15(2)19(22,12-20)13-23-18(21)16-6-4-3-5-7-16/h3-11,15,22H,12-13H2,1-2H3/t15-,19+/m0/s1