methyl 3-[2-cyanoethoxy(oxidanyl)phosphinothioyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl 3-[2-cyanoethoxy(oxidanyl)phosphinothioyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-[2-cyanoethoxy(hydroxy)phosphinothioyl]oxy-propanoate CAS Name: 3-[2-cyanoethoxy(hydroxy)phosphinothioyl]oxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[2-cyanoethoxy(hydroxy)phosphinothioyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-[2-cyanoethoxy(hydroxy)thiophosphoryl]oxy-propionic acid methyl ester Formula: C12H21N2O7PS MolecularWeight: 368.343101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(COP(=S)(O)OCCC#N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(COP(=S)(O)OCCC#N)C(=O)OC

InChI

InChI=1S/C12H21N2O7PS/c1-12(2,3)21-11(16)14-9(10(15)18-4)8-20-22(17,23)19-7-5-6-13/h9H,5,7-8H2,1-4H3,(H,14,16)(H,17,23)