methyl 1-[4-[(4-fluorophenyl)methylsulfanyl]-1-(2-methoxyethanoyl)piperidin-2-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[4-[(4-fluorophenyl)methylsulfanyl]-1-(2-methoxyethanoyl)piperidin-2-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl 1-[4-[(4-fluorophenyl)methylsulfanyl]-1-(2-methoxyacetyl)piperidine-2-carbonyl]pyrrolidine-2-carboxylate CAS Name: 1-[[4-[(4-fluorophenyl)methylthio]-1-(2-methoxy-1-oxoethyl)-2-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[(4-fluorophenyl)methylsulfanyl]-1-(2-methoxyacetyl)piperidine-2-carbonyl]pyrrolidine-2-carboxylate Traditional Name: 1-[4-[(4-fluorobenzyl)thio]-1-(2-methoxyacetyl)pipecoloyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C22H29FN2O5S MolecularWeight: 452.539463

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CCC(CC1C(=O)N2CCCC2C(=O)OC)SCC3=CC=C(C=C3)F

Isomeric SMILES

COCC(=O)N1CCC(CC1C(=O)N2CCCC2C(=O)OC)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H29FN2O5S/c1-29-13-20(26)24-11-9-17(31-14-15-5-7-16(23)8-6-15)12-19(24)21(27)25-10-3-4-18(25)22(28)30-2/h5-8,17-19H,3-4,9-14H2,1-2H3