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

Systemtic Name: S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]piperidin-4-yl] 2,2-dimethylpropanethioate Openeye Name: S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-4-piperidyl] 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic 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] 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-4-piperidyl] ester Formula: C21H28FNO2S MolecularWeight: 377.515923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28FNO2S/c1-21(2,3)20(25)26-15-10-12-23(13-11-15)18(19(24)14-8-9-14)16-6-4-5-7-17(16)22/h4-7,14-15,18H,8-13H2,1-3H3