[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 4-tert-butyl-3-nitro-benzoate

Systemtic Name: [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 4-tert-butyl-3-nitro-benzoate Openeye Name: [(1S)-1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [(1S)-1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl] ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=CS2)OC(=O)C3=CC(=C(C=C3)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=NN=C(O1)C2=CC=CS2)OC(=O)C3=CC(=C(C=C3)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5S/c1-11(16-20-21-17(27-16)15-6-5-9-28-15)26-18(23)12-7-8-13(19(2,3)4)14(10-12)22(24)25/h5-11H,1-4H3/t11-/m0/s1