(4-nitrophenyl)methyl 4-(ethanoylsulfanylmethyl)piperidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-(ethanoylsulfanylmethyl)piperidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-(acetylsulfanylmethyl)piperidine-1-carboxylate CAS Name: 4-[(acetylthio)methyl]-1-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(acetylsulfanylmethyl)piperidine-1-carboxylate Traditional Name: 4-[(acetylthio)methyl]piperidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1CCN(CC1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SCC1CCN(CC1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O5S/c1-12(19)24-11-14-6-8-17(9-7-14)16(20)23-10-13-2-4-15(5-3-13)18(21)22/h2-5,14H,6-11H2,1H3