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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1CCN(C(C1)(S)S)C(C2=CC=CC=C2F)C(=O)C3CC3

Isomeric SMILES

COC(=O)CCC1CCN(C(C1)(S)S)C(C2=CC=CC=C2F)C(=O)C3CC3

InChI

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