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

Systemtic Name: ethyl 1-[2-[(4-nitrophenyl)methylsulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(4-nitrophenyl)methylsulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-nitrophenyl)methylsulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-nitrobenzyl)thio]acetyl]isonipecotic acid ethyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O5S/c1-2-24-17(21)14-7-9-18(10-8-14)16(20)12-25-11-13-3-5-15(6-4-13)19(22)23/h3-6,14H,2,7-12H2,1H3