[5-(5-ethyl-4-methyl-thiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-nitrobenzoate

Systemtic Name: [5-(5-ethyl-4-methyl-thiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-nitrobenzoate Openeye Name: [5-(5-ethyl-4-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 2-nitrobenzoate CAS Name: 2-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 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [5-(5-ethyl-4-methyl-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5S/c1-3-13-10(2)8-14(26-13)16-19-18-15(25-16)9-24-17(21)11-6-4-5-7-12(11)20(22)23/h4-8H,3,9H2,1-2H3