methyl 2-[[2-cyanoethoxy(oxidanyl)phosphinothioyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[2-cyanoethoxy(oxidanyl)phosphinothioyl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-cyanoethoxy(hydroxy)phosphinothioyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-cyanoethoxy(hydroxy)phosphinothioyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-cyanoethoxy(hydroxy)phosphinothioyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-cyanoethoxy(hydroxy)thiophosphoryl]amino]-3-phenyl-propionic acid methyl ester Formula: C13H17N2O4PS MolecularWeight: 328.323841

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NP(=S)(O)OCCC#N

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NP(=S)(O)OCCC#N

InChI

InChI=1S/C13H17N2O4PS/c1-18-13(16)12(10-11-6-3-2-4-7-11)15-20(17,21)19-9-5-8-14/h2-4,6-7,12H,5,9-10H2,1H3,(H2,15,17,21)