tert-butyl N-[6-(4-chlorophenyl)-5-cyano-3-dimethoxyphosphoryl-4-sulfanylidene-pyran-2-yl]carbamate

Systemtic Name: tert-butyl N-[6-(4-chlorophenyl)-5-cyano-3-dimethoxyphosphoryl-4-sulfanylidene-pyran-2-yl]carbamate Openeye Name: tert-butyl N-[6-(4-chlorophenyl)-5-cyano-3-dimethoxyphosphoryl-4-thioxo-pyran-2-yl]carbamate CAS Name: N-[6-(4-chlorophenyl)-5-cyano-3-dimethoxyphosphoryl-4-sulfanylidene-2-pyranyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-(4-chlorophenyl)-5-cyano-3-dimethoxyphosphoryl-4-sulfanylidenepyran-2-yl]carbamate Traditional Name: N-[6-(4-chlorophenyl)-5-cyano-3-dimethoxyphosphoryl-4-thioxo-pyran-2-yl]carbamic acid tert-butyl ester Formula: C19H20ClN2O6PS MolecularWeight: 470.863661

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C(=S)C(=C(O1)C2=CC=C(C=C2)Cl)C#N)P(=O)(OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C(=S)C(=C(O1)C2=CC=C(C=C2)Cl)C#N)P(=O)(OC)OC

InChI

InChI=1S/C19H20ClN2O6PS/c1-19(2,3)28-18(23)22-17-15(29(24,25-4)26-5)16(30)13(10-21)14(27-17)11-6-8-12(20)9-7-11/h6-9H,1-5H3,(H,22,23)