diethyl 2-acetamido-2-[[3-(diethoxyphosphorylmethoxy)-5-thiophen-2-yl-1,2-oxazol-4-yl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[3-(diethoxyphosphorylmethoxy)-5-thiophen-2-yl-1,2-oxazol-4-yl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[3-(diethoxyphosphorylmethoxy)-5-(2-thienyl)isoxazol-4-yl]methyl]propanedioate CAS Name: 2-acetamido-2-[[3-(diethoxyphosphorylmethoxy)-5-thiophen-2-yl-4-isoxazolyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[3-(diethoxyphosphorylmethoxy)-5-thiophen-2-yl-1,2-oxazol-4-yl]methyl]propanedioate Traditional Name: 2-acetamido-2-[[3-(diethoxyphosphorylmethoxy)-5-(2-thienyl)isoxazol-4-yl]methyl]malonic acid diethyl ester Formula: C22H31N2O10PS MolecularWeight: 546.527701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(ON=C1OCP(=O)(OCC)OCC)C2=CC=CS2)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=C(ON=C1OCP(=O)(OCC)OCC)C2=CC=CS2)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C22H31N2O10PS/c1-6-29-20(26)22(23-15(5)25,21(27)30-7-2)13-16-18(17-11-10-12-36-17)34-24-19(16)31-14-35(28,32-8-3)33-9-4/h10-12H,6-9,13-14H2,1-5H3,(H,23,25)