O-[diethoxyphosphoryl(1,4-dioxaspiro[4.5]decan-3-yl)methyl] imidazole-1-carbothioate

Systemtic Name: O-[diethoxyphosphoryl(1,4-dioxaspiro[4.5]decan-3-yl)methyl] imidazole-1-carbothioate Openeye Name: O-[diethoxyphosphoryl(1,4-dioxaspiro[4.5]decan-3-yl)methyl] imidazole-1-carbothioate CAS Name: 1-imidazolecarbothioic acid O-[diethoxyphosphoryl(1,4-dioxaspiro[4.5]decan-3-yl)methyl] ester IUPAC Name: O-[diethoxyphosphoryl(1,4-dioxaspiro[4.5]decan-3-yl)methyl] imidazole-1-carbothioate Traditional Name: imidazole-1-carbothioic acid O-[diethoxyphosphoryl(1,4-dioxaspiro[4.5]decan-3-yl)methyl] ester Formula: C17H27N2O6PS MolecularWeight: 418.444841

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1COC2(O1)CCCCC2)OC(=S)N3C=CN=C3)OCC

Isomeric SMILES

CCOP(=O)(C(C1COC2(O1)CCCCC2)OC(=S)N3C=CN=C3)OCC

InChI

InChI=1S/C17H27N2O6PS/c1-3-22-26(20,23-4-2)15(24-16(27)19-11-10-18-13-19)14-12-21-17(25-14)8-6-5-7-9-17/h10-11,13-15H,3-9,12H2,1-2H3