(2-sulfanylidenepyridin-1-yl) 3-diphenoxyphosphoryloxy-2-(4-methoxyphenyl)-3-methyl-butanoate

Systemtic Name: (2-sulfanylidenepyridin-1-yl) 3-diphenoxyphosphoryloxy-2-(4-methoxyphenyl)-3-methyl-butanoate Openeye Name: (2-thioxo-1-pyridyl) 3-diphenoxyphosphoryloxy-2-(4-methoxyphenyl)-3-methyl-butanoate CAS Name: 3-diphenoxyphosphoryloxy-2-(4-methoxyphenyl)-3-methylbutanoic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) 3-diphenoxyphosphoryloxy-2-(4-methoxyphenyl)-3-methylbutanoate Traditional Name: 3-diphenoxyphosphoryloxy-2-(4-methoxyphenyl)-3-methyl-butyric acid (2-thioxo-1-pyridyl) ester Formula: C29H28NO7PS MolecularWeight: 565.573881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=CC=C(C=C1)OC)C(=O)ON2C=CC=CC2=S)OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)(C(C1=CC=C(C=C1)OC)C(=O)ON2C=CC=CC2=S)OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C29H28NO7PS/c1-29(2,37-38(32,35-24-12-6-4-7-13-24)36-25-14-8-5-9-15-25)27(22-17-19-23(33-3)20-18-22)28(31)34-30-21-11-10-16-26(30)39/h4-21,27H,1-3H3