S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]piperidin-4-yl] hexadecanethioate

Systemtic Name: S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]piperidin-4-yl] hexadecanethioate Openeye Name: S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-4-piperidyl] hexadecanethioate CAS Name: hexadecanethioic acid S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-piperidinyl] ester IUPAC Name: S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-4-yl] hexadecanethioate Traditional Name: hexadecanethioic acid S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-4-piperidyl] ester Formula: C32H50FNO2S MolecularWeight: 531.808303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)SC1CCN(CC1)C(C2=CC=CC=C2F)C(=O)C3CC3

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)SC1CCN(CC1)C(C2=CC=CC=C2F)C(=O)C3CC3

InChI

InChI=1S/C32H50FNO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-30(35)37-27-22-24-34(25-23-27)31(32(36)26-20-21-26)28-17-15-16-18-29(28)33/h15-18,26-27,31H,2-14,19-25H2,1H3