methyl 2-[2-[(2-nitrophenyl)sulfanylamino]propanoylamino]propanoate

Systemtic Name: methyl 2-[2-[(2-nitrophenyl)sulfanylamino]propanoylamino]propanoate Openeye Name: methyl 2-[2-[(2-nitrophenyl)sulfanylamino]propanoylamino]propanoate CAS Name: 2-[[2-[[(2-nitrophenyl)thio]amino]-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[2-[(2-nitrophenyl)sulfanylamino]propanoylamino]propanoate Traditional Name: 2-[2-[[(2-nitrophenyl)thio]amino]propanoylamino]propionic acid methyl ester Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C(=O)OC)NSC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC(C)C(=O)OC)NSC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5S/c1-8(12(17)14-9(2)13(18)21-3)15-22-11-7-5-4-6-10(11)16(19)20/h4-9,15H,1-3H3,(H,14,17)