(3-chloranyl-1-benzothiophen-2-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C22H19ClFNO3S MolecularWeight: 431.907563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=C(C3=CC=CC=C3S2)Cl)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=C(C3=CC=CC=C3S2)Cl)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H19ClFNO3S/c23-20-17-3-1-2-4-18(17)29-19(20)13-28-22(27)15-9-11-25(12-10-15)21(26)14-5-7-16(24)8-6-14/h1-8,15H,9-13H2