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

Systemtic Name: tert-butyl N-[6-(4-chlorophenyl)-5-cyano-3-diethoxyphosphoryl-4-sulfanylidene-pyran-2-yl]carbamate Openeye Name: tert-butyl N-[6-(4-chlorophenyl)-5-cyano-3-diethoxyphosphoryl-4-thioxo-pyran-2-yl]carbamate CAS Name: N-[6-(4-chlorophenyl)-5-cyano-3-diethoxyphosphoryl-4-sulfanylidene-2-pyranyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-(4-chlorophenyl)-5-cyano-3-diethoxyphosphoryl-4-sulfanylidenepyran-2-yl]carbamate Traditional Name: N-[6-(4-chlorophenyl)-5-cyano-3-diethoxyphosphoryl-4-thioxo-pyran-2-yl]carbamic acid tert-butyl ester Formula: C21H24ClN2O6PS MolecularWeight: 498.916821

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(OC(=C(C1=S)C#N)C2=CC=C(C=C2)Cl)NC(=O)OC(C)(C)C)OCC

Isomeric SMILES

CCOP(=O)(C1=C(OC(=C(C1=S)C#N)C2=CC=C(C=C2)Cl)NC(=O)OC(C)(C)C)OCC

InChI

InChI=1S/C21H24ClN2O6PS/c1-6-27-31(26,28-7-2)17-18(32)15(12-23)16(13-8-10-14(22)11-9-13)29-19(17)24-20(25)30-21(3,4)5/h8-11H,6-7H2,1-5H3,(H,24,25)