(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl 1-(furan-2-ylcarbonyl)piperidine-3-carboxylate

Systemtic Name: (2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl 1-(furan-2-ylcarbonyl)piperidine-3-carboxylate Openeye Name: (2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl 1-(furan-2-carbonyl)piperidine-3-carboxylate CAS Name: 1-[2-furanyl(oxo)methyl]-3-piperidinecarboxylic acid (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl ester IUPAC Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl 1-(furan-2-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(2-furoyl)nipecotic acid (2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl ester Formula: C23H22FNO6S MolecularWeight: 459.487283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3CCCN(C3)C(=O)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3CCCN(C3)C(=O)C4=CC=CO4

InChI

InChI=1S/C23H22FNO6S/c1-2-29-23(28)20-15(19-16(24)7-3-9-18(19)32-20)13-31-22(27)14-6-4-10-25(12-14)21(26)17-8-5-11-30-17/h3,5,7-9,11,14H,2,4,6,10,12-13H2,1H3