(3-chloranyl-1-benzothiophen-2-yl)methyl 1-(furan-3-ylcarbonyl)piperidine-3-carboxylate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 1-(furan-3-ylcarbonyl)piperidine-3-carboxylate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 1-(furan-3-carbonyl)piperidine-3-carboxylate CAS Name: 1-[3-furanyl(oxo)methyl]-3-piperidinecarboxylic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 1-(furan-3-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(3-furoyl)nipecotic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C20H18ClNO4S MolecularWeight: 403.87922

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=COC=C2)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=COC=C2)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H18ClNO4S/c21-18-15-5-1-2-6-16(15)27-17(18)12-26-20(24)13-4-3-8-22(10-13)19(23)14-7-9-25-11-14/h1-2,5-7,9,11,13H,3-4,8,10,12H2