(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: (2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl ester IUPAC Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid (2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl ester Formula: C21H17FO6S MolecularWeight: 416.419483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H17FO6S/c1-2-25-21(24)19-12(18-13(22)6-5-9-17(18)29-19)10-27-20(23)16-11-26-14-7-3-4-8-15(14)28-16/h3-9,16H,2,10-11H2,1H3/t16-/m1/s1