(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-nitrophenyl)sulfanylamino]propanoate

Systemtic Name: (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-nitrophenyl)sulfanylamino]propanoate Openeye Name: (2S)-3-tert-butoxy-2-[(2-nitrophenyl)sulfanylamino]propanoate CAS Name: (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2-nitrophenyl)thio]amino]propanoate IUPAC Name: (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-nitrophenyl)sulfanylamino]propanoate Traditional Name: (2S)-3-tert-butoxy-2-[[(2-nitrophenyl)thio]amino]propionate Formula: C13H17N2O5S- MolecularWeight: 313.34948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5S/c1-13(2,3)20-8-9(12(16)17)14-21-11-7-5-4-6-10(11)15(18)19/h4-7,9,14H,8H2,1-3H3,(H,16,17)/p-1/t9-/m0/s1