tert-butyl N-[6-(4-chlorophenyl)-5-cyano-3-di(propan-2-yloxy)phosphoryl-4-sulfanylidene-pyran-2-yl]carbamate

Systemtic Name: tert-butyl N-[6-(4-chlorophenyl)-5-cyano-3-di(propan-2-yloxy)phosphoryl-4-sulfanylidene-pyran-2-yl]carbamate Openeye Name: tert-butyl N-[6-(4-chlorophenyl)-5-cyano-3-diisopropoxyphosphoryl-4-thioxo-pyran-2-yl]carbamate CAS Name: N-[6-(4-chlorophenyl)-5-cyano-3-di(propan-2-yloxy)phosphoryl-4-sulfanylidene-2-pyranyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-(4-chlorophenyl)-5-cyano-3-di(propan-2-yloxy)phosphoryl-4-sulfanylidenepyran-2-yl]carbamate Traditional Name: N-[6-(4-chlorophenyl)-5-cyano-3-diisopropoxyphosphoryl-4-thioxo-pyran-2-yl]carbamic acid tert-butyl ester Formula: C23H28ClN2O6PS MolecularWeight: 526.969981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN2O6PS/c1-13(2)31-33(28,32-14(3)4)19-20(34)17(12-25)18(15-8-10-16(24)11-9-15)29-21(19)26-22(27)30-23(5,6)7/h8-11,13-14H,1-7H3,(H,26,27)