ethyl 4-[(3-fluorophenyl)methyl]-1-(2-methylsulfanylethanoyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(2-methylsulfanylethanoyl)piperidine-4-carboxylate Openeye Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(2-methylsulfanylacetyl)piperidine-4-carboxylate CAS Name: 4-[(3-fluorophenyl)methyl]-1-[2-(methylthio)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-fluorophenyl)methyl]-1-(2-methylsulfanylacetyl)piperidine-4-carboxylate Traditional Name: 4-(3-fluorobenzyl)-1-[2-(methylthio)acetyl]isonipecotic acid ethyl ester Formula: C18H24FNO3S MolecularWeight: 353.451463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CSC)CC2=CC(=CC=C2)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CSC)CC2=CC(=CC=C2)F

InChI

InChI=1S/C18H24FNO3S/c1-3-23-17(22)18(12-14-5-4-6-15(19)11-14)7-9-20(10-8-18)16(21)13-24-2/h4-6,11H,3,7-10,12-13H2,1-2H3