methyl 5-diethoxyphosphoryl-3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: methyl 5-diethoxyphosphoryl-3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: methyl 5-diethoxyphosphoryl-3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 5-diethoxyphosphoryl-3-[(4-methoxyphenyl)methyl]-2-(methylthio)-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 5-diethoxyphosphoryl-3-[(4-methoxyphenyl)methyl]-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 5-diethoxyphosphoryl-2-(methylthio)-3-p-anisyl-imidazole-4-carboxylic acid methyl ester Formula: C18H25N2O6PS MolecularWeight: 428.439661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N2O6PS/c1-6-25-27(22,26-7-2)16-15(17(21)24-4)20(18(19-16)28-5)12-13-8-10-14(23-3)11-9-13/h8-11H,6-7,12H2,1-5H3