methyl 1-[2-[2-(4-nitrophenyl)sulfanylethanoyloxy]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[2-(4-nitrophenyl)sulfanylethanoyloxy]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[2-(4-nitrophenyl)sulfanylacetyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[2-[(4-nitrophenyl)thio]-1-oxoethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-(4-nitrophenyl)sulfanylacetyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-[(4-nitrophenyl)thio]acetyl]oxyacetyl]isonipecotic acid methyl ester Formula: C17H20N2O7S MolecularWeight: 396.4149

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O7S/c1-25-17(22)12-6-8-18(9-7-12)15(20)10-26-16(21)11-27-14-4-2-13(3-5-14)19(23)24/h2-5,12H,6-11H2,1H3