tert-butyl N-[5-diethoxyphosphoryl-3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-imidazol-4-yl]carbamate

Systemtic Name: tert-butyl N-[5-diethoxyphosphoryl-3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-imidazol-4-yl]carbamate Openeye Name: tert-butyl N-[5-diethoxyphosphoryl-3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-imidazol-4-yl]carbamate CAS Name: N-[5-diethoxyphosphoryl-3-[(4-methoxyphenyl)methyl]-2-(methylthio)-4-imidazolyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-diethoxyphosphoryl-3-[(4-methoxyphenyl)methyl]-2-methylsulfanylimidazol-4-yl]carbamate Traditional Name: N-[5-diethoxyphosphoryl-2-(methylthio)-3-p-anisyl-imidazol-4-yl]carbamic acid tert-butyl ester Formula: C21H32N3O6PS MolecularWeight: 485.534041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(N(C(=N1)SC)CC2=CC=C(C=C2)OC)NC(=O)OC(C)(C)C)OCC

Isomeric SMILES

CCOP(=O)(C1=C(N(C(=N1)SC)CC2=CC=C(C=C2)OC)NC(=O)OC(C)(C)C)OCC

InChI

InChI=1S/C21H32N3O6PS/c1-8-28-31(26,29-9-2)18-17(22-20(25)30-21(3,4)5)24(19(23-18)32-7)14-15-10-12-16(27-6)13-11-15/h10-13H,8-9,14H2,1-7H3,(H,22,25)