ethyl 2-diethoxyphosphoryl-3-[2-(4-fluorophenyl)-2-oxidanyl-1-phenyl-ethyl]sulfanyl-4-methyl-pentanoate

Systemtic Name: ethyl 2-diethoxyphosphoryl-3-[2-(4-fluorophenyl)-2-oxidanyl-1-phenyl-ethyl]sulfanyl-4-methyl-pentanoate Openeye Name: ethyl 2-diethoxyphosphoryl-3-[2-(4-fluorophenyl)-2-hydroxy-1-phenyl-ethyl]sulfanyl-4-methyl-pentanoate CAS Name: 2-diethoxyphosphoryl-3-[[2-(4-fluorophenyl)-2-hydroxy-1-phenylethyl]thio]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-diethoxyphosphoryl-3-[2-(4-fluorophenyl)-2-hydroxy-1-phenylethyl]sulfanyl-4-methylpentanoate Traditional Name: 2-diethoxyphosphoryl-3-[[2-(4-fluorophenyl)-2-hydroxy-1-phenyl-ethyl]thio]-4-methyl-valeric acid ethyl ester Formula: C26H36FO6PS MolecularWeight: 526.597604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C(C)C)SC(C1=CC=CC=C1)C(C2=CC=C(C=C2)F)O)P(=O)(OCC)OCC

Isomeric SMILES

CCOC(=O)C(C(C(C)C)SC(C1=CC=CC=C1)C(C2=CC=C(C=C2)F)O)P(=O)(OCC)OCC

InChI

InChI=1S/C26H36FO6PS/c1-6-31-26(29)23(34(30,32-7-2)33-8-3)24(18(4)5)35-25(20-12-10-9-11-13-20)22(28)19-14-16-21(27)17-15-19/h9-18,22-25,28H,6-8H2,1-5H3