(phenylmethyl) N-[(2R)-1-[(5-cyano-3-diethoxyphosphoryl-6-phenyl-4-sulfanylidene-pyran-2-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2R)-1-[(5-cyano-3-diethoxyphosphoryl-6-phenyl-4-sulfanylidene-pyran-2-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1R)-1-[(5-cyano-3-diethoxyphosphoryl-6-phenyl-4-thioxo-pyran-2-yl)carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2R)-1-[(5-cyano-3-diethoxyphosphoryl-6-phenyl-4-sulfanylidene-2-pyranyl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2R)-1-[(5-cyano-3-diethoxyphosphoryl-6-phenyl-4-sulfanylidenepyran-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1R)-1-[(5-cyano-3-diethoxyphosphoryl-6-phenyl-4-thioxo-pyran-2-yl)carbamoyl]-2-methyl-propyl]carbamic acid benzyl ester Formula: C29H32N3O7PS MolecularWeight: 597.619041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(OC(=C(C1=S)C#N)C2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3)OCC

Isomeric SMILES

CCOP(=O)(C1=C(OC(=C(C1=S)C#N)C2=CC=CC=C2)NC(=O)[C@@H](C(C)C)NC(=O)OCC3=CC=CC=C3)OCC

InChI

InChI=1S/C29H32N3O7PS/c1-5-37-40(35,38-6-2)25-26(41)22(17-30)24(21-15-11-8-12-16-21)39-28(25)32-27(33)23(19(3)4)31-29(34)36-18-20-13-9-7-10-14-20/h7-16,19,23H,5-6,18H2,1-4H3,(H,31,34)(H,32,33)/t23-/m1/s1