S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]piperidin-4-yl] (E)-octadec-9-enethioate

Systemtic Name: S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]piperidin-4-yl] (E)-octadec-9-enethioate Openeye Name: S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-4-piperidyl] (E)-octadec-9-enethioate CAS Name: (E)-9-octadecenethioic 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] (E)-octadec-9-enethioate Traditional Name: (E)-octadec-9-enethioic acid S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-4-piperidyl] ester Formula: C34H52FNO2S MolecularWeight: 557.845583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)SC1CCN(CC1)C(C2=CC=CC=C2F)C(=O)C3CC3

InChI

InChI=1S/C34H52FNO2S/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/h9-10,17-20,28-29,33H,2-8,11-16,21-27H2,1H3/b10-9+