S-[1-(4-nitrophenyl)piperidin-4-yl] ethanethioate

Systemtic Name: S-[1-(4-nitrophenyl)piperidin-4-yl] ethanethioate Openeye Name: S-[1-(4-nitrophenyl)-4-piperidyl] ethanethioate CAS Name: ethanethioic acid S-[1-(4-nitrophenyl)-4-piperidinyl] ester IUPAC Name: S-[1-(4-nitrophenyl)piperidin-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-(4-nitrophenyl)-4-piperidyl] ester Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O3S/c1-10(16)19-13-6-8-14(9-7-13)11-2-4-12(5-3-11)15(17)18/h2-5,13H,6-9H2,1H3