1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: 1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl ester IUPAC Name: 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid 1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC(C)C3=NN=C(O3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC(C)C3=NN=C(O3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S/c1-13-7-9-24(10-8-13)16-6-5-15(12-17(16)25(27)28)21(26)29-14(2)19-22-23-20(30-19)18-4-3-11-31-18/h3-6,11-14H,7-10H2,1-2H3