(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-(4-methyl-1-piperidyl)-5-nitro-benzoate CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitrobenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-(4-methylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-methylpiperidino)-5-nitro-benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C19H20N2O5S/c1-13-6-8-20(9-7-13)16-5-4-14(21(24)25)11-15(16)19(23)26-12-17(22)18-3-2-10-27-18/h2-5,10-11,13H,6-9,12H2,1H3