methyl 3-[[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]piperidin-4-yl]disulfanyl]propanoate

Systemtic Name: methyl 3-[[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxidanylidene-ethyl]piperidin-4-yl]disulfanyl]propanoate Openeye Name: methyl 3-[[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-4-piperidyl]disulfanyl]propanoate CAS Name: 3-[[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-piperidinyl]disulfanyl]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-4-yl]disulfanyl]propanoate Traditional Name: 3-[[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-keto-ethyl]-4-piperidyl]disulfanyl]propionic acid methyl ester Formula: C20H26FNO3S2 MolecularWeight: 411.553743

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSSC1CCN(CC1)C(C2=CC=CC=C2F)C(=O)C3CC3

Isomeric SMILES

COC(=O)CCSSC1CCN(CC1)C(C2=CC=CC=C2F)C(=O)C3CC3

InChI

InChI=1S/C20H26FNO3S2/c1-25-18(23)10-13-26-27-15-8-11-22(12-9-15)19(20(24)14-6-7-14)16-4-2-3-5-17(16)21/h2-5,14-15,19H,6-13H2,1H3