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

Systemtic Name: [5-(5-ethyl-4-methyl-thiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-tert-butyl-3-nitro-benzoate Openeye Name: [5-(5-ethyl-4-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid [5-(5-ethyl-4-methyl-2-thiophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid [5-(5-ethyl-4-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2=NN=C(O2)COC(=O)C3=CC(=C(C=C3)C(C)(C)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(C=C(S1)C2=NN=C(O2)COC(=O)C3=CC(=C(C=C3)C(C)(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N3O5S/c1-6-16-12(2)9-17(30-16)19-23-22-18(29-19)11-28-20(25)13-7-8-14(21(3,4)5)15(10-13)24(26)27/h7-10H,6,11H2,1-5H3