methyl 1-[2-(4-methylsulfanyl-3-nitro-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(4-methylsulfanyl-3-nitro-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4-methylsulfanyl-3-nitro-benzoyl)oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-(methylthio)-3-nitrophenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-methylsulfanyl-3-nitrobenzoyl)oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-(methylthio)-3-nitro-benzoyl]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)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O7S/c1-25-16(21)11-5-7-18(8-6-11)15(20)10-26-17(22)12-3-4-14(27-2)13(9-12)19(23)24/h3-4,9,11H,5-8,10H2,1-2H3