ethyl 1-(4-methylsulfanyl-3-nitro-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(4-methylsulfanyl-3-nitro-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(4-methylsulfanyl-3-nitro-benzoyl)piperidine-4-carboxylate CAS Name: 1-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylsulfanyl-3-nitrobenzoyl)piperidine-4-carboxylate Traditional Name: 1-[4-(methylthio)-3-nitro-benzoyl]isonipecotic acid ethyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5S/c1-3-23-16(20)11-6-8-17(9-7-11)15(19)12-4-5-14(24-2)13(10-12)18(21)22/h4-5,10-11H,3,6-9H2,1-2H3