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

Systemtic Name: ethyl 2-diethoxyphosphoryl-3-[2-(4-fluorophenyl)-1-(4-methylphenyl)-2-oxidanyl-ethyl]sulfanyl-4-methyl-pentanoate Openeye Name: ethyl 2-diethoxyphosphoryl-3-[2-(4-fluorophenyl)-2-hydroxy-1-(p-tolyl)ethyl]sulfanyl-4-methyl-pentanoate CAS Name: 2-diethoxyphosphoryl-3-[[2-(4-fluorophenyl)-2-hydroxy-1-(4-methylphenyl)ethyl]thio]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-diethoxyphosphoryl-3-[2-(4-fluorophenyl)-2-hydroxy-1-(4-methylphenyl)ethyl]sulfanyl-4-methylpentanoate Traditional Name: 2-diethoxyphosphoryl-3-[[2-(4-fluorophenyl)-2-hydroxy-1-(p-tolyl)ethyl]thio]-4-methyl-valeric acid ethyl ester Formula: C27H38FO6PS MolecularWeight: 540.624184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38FO6PS/c1-7-32-27(30)24(35(31,33-8-2)34-9-3)25(18(4)5)36-26(21-12-10-19(6)11-13-21)23(29)20-14-16-22(28)17-15-20/h10-18,23-26,29H,7-9H2,1-6H3