(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: (2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl ester IUPAC Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid (2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl ester Formula: C20H24FNO6S2 MolecularWeight: 457.536063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3CCN(CC3)S(=O)(=O)CC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3CCN(CC3)S(=O)(=O)CC

InChI

InChI=1S/C20H24FNO6S2/c1-3-27-20(24)18-14(17-15(21)6-5-7-16(17)29-18)12-28-19(23)13-8-10-22(11-9-13)30(25,26)4-2/h5-7,13H,3-4,8-12H2,1-2H3