(4-acetamidophenyl) 2-acetamido-3-(phosphonooxymethylsulfanyl)propanoate

Systemtic Name: (4-acetamidophenyl) 2-acetamido-3-(phosphonooxymethylsulfanyl)propanoate Openeye Name: (4-acetamidophenyl) 2-acetamido-3-(phosphonooxymethylsulfanyl)propanoate CAS Name: 2-acetamido-3-(phosphonooxymethylthio)propanoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 2-acetamido-3-(phosphonooxymethylsulfanyl)propanoate Traditional Name: 2-acetamido-3-(phosphonooxymethylthio)propionic acid (4-acetamidophenyl) ester Formula: C14H19N2O8PS MolecularWeight: 406.348021

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C(CSCOP(=O)(O)O)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C(CSCOP(=O)(O)O)NC(=O)C

InChI

InChI=1S/C14H19N2O8PS/c1-9(17)15-11-3-5-12(6-4-11)24-14(19)13(16-10(2)18)7-26-8-23-25(20,21)22/h3-6,13H,7-8H2,1-2H3,(H,15,17)(H,16,18)(H2,20,21,22)