(E)-3-(3-nitro-4-piperidin-1-yl-phenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate

Systemtic Name: (E)-3-(3-nitro-4-piperidin-1-yl-phenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate Openeye Name: (E)-3-[3-nitro-4-(1-piperidyl)phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate CAS Name: (E)-3-[3-nitro-4-(1-piperidinyl)phenyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]-2-propenoate IUPAC Name: (E)-3-(3-nitro-4-piperidin-1-ylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate Traditional Name: (E)-3-(3-nitro-4-piperidino-phenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]acrylate Formula: C22H19N4O5S- MolecularWeight: 451.47506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C=C(C(=O)[O-])SC3=NN=C(O3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)/C=C(\C(=O)[O-])/SC3=NN=C(O3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O5S/c27-21(28)19(32-22-24-23-20(31-22)16-7-3-1-4-8-16)14-15-9-10-17(18(13-15)26(29)30)25-11-5-2-6-12-25/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,27,28)/p-1/b19-14+