[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester IUPAC Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C25H22ClFO4S MolecularWeight: 472.956183

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)CCCSC4=CC=C(C=C4)Cl)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)COC(=O)CCCSC4=CC=C(C=C4)Cl)F

InChI

InChI=1S/C25H22ClFO4S/c26-20-8-10-22(11-9-20)32-12-4-7-23(28)29-15-18-13-21(27)14-19-16-30-25(31-24(18)19)17-5-2-1-3-6-17/h1-3,5-6,8-11,13-14,25H,4,7,12,15-16H2/t25-/m0/s1