2-[(2-nitrophenyl)sulfanylamino]-5-oxidanylidene-5-phenylmethoxy-pentanoic acid

Systemtic Name: 2-[(2-nitrophenyl)sulfanylamino]-5-oxidanylidene-5-phenylmethoxy-pentanoic acid Openeye Name: 5-benzyloxy-2-[(2-nitrophenyl)sulfanylamino]-5-oxo-pentanoic acid CAS Name: 2-[[(2-nitrophenyl)thio]amino]-5-oxo-5-phenylmethoxypentanoic acid IUPAC Name: 2-[(2-nitrophenyl)sulfanylamino]-5-oxo-5-phenylmethoxypentanoic acid Traditional Name: 5-benzoxy-5-keto-2-[[(2-nitrophenyl)thio]amino]valeric acid Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC(C(=O)O)NSC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCC(C(=O)O)NSC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c21-17(26-12-13-6-2-1-3-7-13)11-10-14(18(22)23)19-27-16-9-5-4-8-15(16)20(24)25/h1-9,14,19H,10-12H2,(H,22,23)