[(2S)-6-fluoranyl-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl]methyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [(2S)-6-fluoranyl-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl]methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [(2S)-6-fluoro-2-(3-thienyl)-4H-1,3-benzodioxin-8-yl]methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [(2S)-6-fluoro-2-(3-thiophenyl)-4H-1,3-benzodioxin-8-yl]methyl ester IUPAC Name: [(2S)-6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl]methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [(2S)-6-fluoro-2-(3-thienyl)-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C23H21FO6S2 MolecularWeight: 476.537643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CSC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CSC=C4

InChI

InChI=1S/C23H21FO6S2/c1-15-2-4-20(5-3-15)32(26,27)9-7-21(25)28-12-17-10-19(24)11-18-13-29-23(30-22(17)18)16-6-8-31-14-16/h2-6,8,10-11,14,23H,7,9,12-13H2,1H3/t23-/m0/s1