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

Systemtic Name: S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]piperidin-4-yl] hexanethioate Openeye Name: S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-4-piperidyl] hexanethioate CAS Name: hexanethioic 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] hexanethioate Traditional Name: hexanethioic acid S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-4-piperidyl] ester Formula: C22H30FNO2S MolecularWeight: 391.542503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30FNO2S/c1-2-3-4-9-20(25)27-17-12-14-24(15-13-17)21(22(26)16-10-11-16)18-7-5-6-8-19(18)23/h5-8,16-17,21H,2-4,9-15H2,1H3