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

Systemtic Name: ethyl 1-[2-[2-(4-nitrophenyl)sulfanylethanoyloxy]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 1-[2-[2-(4-nitrophenyl)sulfanylacetyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-[(4-nitrophenyl)thio]acetyl]oxyacetyl]isonipecotic acid ethyl ester Formula: C18H22N2O7S MolecularWeight: 410.44148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O7S/c1-2-26-18(23)13-7-9-19(10-8-13)16(21)11-27-17(22)12-28-15-5-3-14(4-6-15)20(24)25/h3-6,13H,2,7-12H2,1H3