(2-sulfanylidenepyridin-1-yl) 3-diphenoxyphosphoryloxy-3-(4-fluorophenyl)-2,2-dimethyl-propanoate

Systemtic Name: (2-sulfanylidenepyridin-1-yl) 3-diphenoxyphosphoryloxy-3-(4-fluorophenyl)-2,2-dimethyl-propanoate Openeye Name: (2-thioxo-1-pyridyl) 3-diphenoxyphosphoryloxy-3-(4-fluorophenyl)-2,2-dimethyl-propanoate CAS Name: 3-diphenoxyphosphoryloxy-3-(4-fluorophenyl)-2,2-dimethylpropanoic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) 3-diphenoxyphosphoryloxy-3-(4-fluorophenyl)-2,2-dimethylpropanoate Traditional Name: 3-diphenoxyphosphoryloxy-3-(4-fluorophenyl)-2,2-dimethyl-propionic acid (2-thioxo-1-pyridyl) ester Formula: C28H25FNO6PS MolecularWeight: 553.538364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=CC=C(C=C1)F)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C(=O)ON4C=CC=CC4=S

Isomeric SMILES

CC(C)(C(C1=CC=C(C=C1)F)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C(=O)ON4C=CC=CC4=S

InChI

InChI=1S/C28H25FNO6PS/c1-28(2,27(31)33-30-20-10-9-15-25(30)38)26(21-16-18-22(29)19-17-21)36-37(32,34-23-11-5-3-6-12-23)35-24-13-7-4-8-14-24/h3-20,26H,1-2H3