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

Systemtic Name: tert-butyl N-(5-cyano-3-diethoxyphosphoryl-6-phenyl-4-sulfanylidene-pyran-2-yl)carbamate Openeye Name: tert-butyl N-(5-cyano-3-diethoxyphosphoryl-6-phenyl-4-thioxo-pyran-2-yl)carbamate CAS Name: N-(5-cyano-3-diethoxyphosphoryl-6-phenyl-4-sulfanylidene-2-pyranyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(5-cyano-3-diethoxyphosphoryl-6-phenyl-4-sulfanylidenepyran-2-yl)carbamate Traditional Name: N-(5-cyano-3-diethoxyphosphoryl-6-phenyl-4-thioxo-pyran-2-yl)carbamic acid tert-butyl ester Formula: C21H25N2O6PS MolecularWeight: 464.471761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N2O6PS/c1-6-26-30(25,27-7-2)17-18(31)15(13-22)16(14-11-9-8-10-12-14)28-19(17)23-20(24)29-21(3,4)5/h8-12H,6-7H2,1-5H3,(H,23,24)