ethyl 2-diethoxyphosphoryl-3-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]sulfanyl-4-methyl-pentanoate

Systemtic Name: ethyl 2-diethoxyphosphoryl-3-[2-(4-fluorophenyl)-2-oxidanyl-ethyl]sulfanyl-4-methyl-pentanoate Openeye Name: ethyl 2-diethoxyphosphoryl-3-[2-(4-fluorophenyl)-2-hydroxy-ethyl]sulfanyl-4-methyl-pentanoate CAS Name: 2-diethoxyphosphoryl-3-[[2-(4-fluorophenyl)-2-hydroxyethyl]thio]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-diethoxyphosphoryl-3-[2-(4-fluorophenyl)-2-hydroxyethyl]sulfanyl-4-methylpentanoate Traditional Name: 2-diethoxyphosphoryl-3-[[2-(4-fluorophenyl)-2-hydroxy-ethyl]thio]-4-methyl-valeric acid ethyl ester Formula: C20H32FO6PS MolecularWeight: 450.501644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C(C)C)SCC(C1=CC=C(C=C1)F)O)P(=O)(OCC)OCC

Isomeric SMILES

CCOC(=O)C(C(C(C)C)SCC(C1=CC=C(C=C1)F)O)P(=O)(OCC)OCC

InChI

InChI=1S/C20H32FO6PS/c1-6-25-20(23)18(28(24,26-7-2)27-8-3)19(14(4)5)29-13-17(22)15-9-11-16(21)12-10-15/h9-12,14,17-19,22H,6-8,13H2,1-5H3