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

Systemtic Name: S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]piperidin-4-yl] octadecanethioate Openeye Name: S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-4-piperidyl] octadecanethioate CAS Name: octadecanethioic 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] octadecanethioate Traditional Name: octadecanethioic acid S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-4-piperidyl] ester Formula: C34H54FNO2S MolecularWeight: 559.861463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H54FNO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-32(37)39-29-24-26-36(27-25-29)33(34(38)28-22-23-28)30-19-17-18-20-31(30)35/h17-20,28-29,33H,2-16,21-27H2,1H3