tert-butyl N-[5-cyano-3-[ethoxy(phenyl)phosphoryl]-6-phenyl-4-sulfanylidene-pyran-2-yl]carbamate

Systemtic Name: tert-butyl N-[5-cyano-3-[ethoxy(phenyl)phosphoryl]-6-phenyl-4-sulfanylidene-pyran-2-yl]carbamate Openeye Name: tert-butyl N-[5-cyano-3-[ethoxy(phenyl)phosphoryl]-6-phenyl-4-thioxo-pyran-2-yl]carbamate CAS Name: N-[5-cyano-3-[ethoxy(phenyl)phosphoryl]-6-phenyl-4-sulfanylidene-2-pyranyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-cyano-3-[ethoxy(phenyl)phosphoryl]-6-phenyl-4-sulfanylidenepyran-2-yl]carbamate Traditional Name: N-[5-cyano-3-[ethoxy(phenyl)phosphoryl]-6-phenyl-4-thioxo-pyran-2-yl]carbamic acid tert-butyl ester Formula: C25H25N2O5PS MolecularWeight: 496.515161

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CC=CC=C1)C2=C(OC(=C(C2=S)C#N)C3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOP(=O)(C1=CC=CC=C1)C2=C(OC(=C(C2=S)C#N)C3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H25N2O5PS/c1-5-30-33(29,18-14-10-7-11-15-18)21-22(34)19(16-26)20(17-12-8-6-9-13-17)31-23(21)27-24(28)32-25(2,3)4/h6-15H,5H2,1-4H3,(H,27,28)