methyl 2-acetamido-3-(4-nitrophenoxy)carbonylsulfanyl-propanoate

Systemtic Name: methyl 2-acetamido-3-(4-nitrophenoxy)carbonylsulfanyl-propanoate Openeye Name: methyl 2-acetamido-3-(4-nitrophenoxy)carbonylsulfanyl-propanoate CAS Name: 2-acetamido-3-[[(4-nitrophenoxy)-oxomethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-(4-nitrophenoxy)carbonylsulfanylpropanoate Traditional Name: 2-acetamido-3-[(4-nitrophenoxy)carbonylthio]propionic acid methyl ester Formula: C13H14N2O7S MolecularWeight: 342.32446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)NC(CSC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H14N2O7S/c1-8(16)14-11(12(17)21-2)7-23-13(18)22-10-5-3-9(4-6-10)15(19)20/h3-6,11H,7H2,1-2H3,(H,14,16)