(phenylmethyl) 4-(2-fluoranyl-5-methoxycarbonyl-4-methylsulfanyl-phenyl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-fluoranyl-5-methoxycarbonyl-4-methylsulfanyl-phenyl)piperidine-1-carboxylate Openeye Name: benzyl 4-(2-fluoro-5-methoxycarbonyl-4-methylsulfanyl-phenyl)piperidine-1-carboxylate CAS Name: 4-[2-fluoro-5-methoxycarbonyl-4-(methylthio)phenyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-fluoro-5-methoxycarbonyl-4-methylsulfanylphenyl)piperidine-1-carboxylate Traditional Name: 4-[5-carbomethoxy-2-fluoro-4-(methylthio)phenyl]piperidine-1-carboxylic acid benzyl ester Formula: C22H24FNO4S MolecularWeight: 417.493663

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1SC)F)C2CCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1SC)F)C2CCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24FNO4S/c1-27-21(25)18-12-17(19(23)13-20(18)29-2)16-8-10-24(11-9-16)22(26)28-14-15-6-4-3-5-7-15/h3-7,12-13,16H,8-11,14H2,1-2H3