3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3-nitropyridin-2-yl)sulfanylamino]propanoic acid

Systemtic Name: 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3-nitropyridin-2-yl)sulfanylamino]propanoic acid Openeye Name: 3-(4-tert-butoxyphenyl)-2-[(3-nitro-2-pyridyl)sulfanylamino]propanoic acid CAS Name: 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[[(3-nitro-2-pyridinyl)thio]amino]propanoic acid IUPAC Name: 3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(3-nitropyridin-2-yl)sulfanylamino]propanoic acid Traditional Name: 3-(4-tert-butoxyphenyl)-2-[[(3-nitro-2-pyridyl)thio]amino]propionic acid Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)O)NSC2=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)O)NSC2=C(C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-18(2,3)26-13-8-6-12(7-9-13)11-14(17(22)23)20-27-16-15(21(24)25)5-4-10-19-16/h4-10,14,20H,11H2,1-3H3,(H,22,23)