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

Systemtic Name: 1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-methyl-3-nitro-benzoate Openeye Name: 1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-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 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid 1-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC(C)C2=NN=C(O2)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC(C)C2=NN=C(O2)C3=CC=CS3

InChI

InChI=1S/C16H13N3O5S/c1-9-11(5-3-6-12(9)19(21)22)16(20)23-10(2)14-17-18-15(24-14)13-7-4-8-25-13/h3-8,10H,1-2H3