S-[[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]piperidin-3-yl]methyl] ethanethioate

Systemtic Name: S-[[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]piperidin-3-yl]methyl] ethanethioate Openeye Name: S-[[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-3-piperidyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-3-piperidinyl]methyl] ester IUPAC Name: S-[[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-3-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-3-piperidyl]methyl] ester Formula: C19H24FNO2S MolecularWeight: 349.462763

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1CCCN(C1)C(C2=CC=CC=C2F)C(=O)C3CC3

Isomeric SMILES

CC(=O)SCC1CCCN(C1)C(C2=CC=CC=C2F)C(=O)C3CC3

InChI

InChI=1S/C19H24FNO2S/c1-13(22)24-12-14-5-4-10-21(11-14)18(19(23)15-8-9-15)16-6-2-3-7-17(16)20/h2-3,6-7,14-15,18H,4-5,8-12H2,1H3