(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: (2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate Openeye Name: (2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl 1-(5-carbamoyl-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-carbamoyl-2-pyridinyl)-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-(5-carbamoylpyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-carbamoyl-2-pyridyl)isonipecotic acid (2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl ester Formula: C24H24FN3O5S MolecularWeight: 485.527863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(=O)N

InChI

InChI=1S/C24H24FN3O5S/c1-2-32-24(31)21-16(20-17(25)4-3-5-18(20)34-21)13-33-23(30)14-8-10-28(11-9-14)19-7-6-15(12-27-19)22(26)29/h3-7,12,14H,2,8-11,13H2,1H3,(H2,26,29)