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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CSC)CC2=CC=CC=C2F

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)CSC)CC2=CC=CC=C2F

InChI

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