[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazol-2-yl]methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [5-(2,5-dimethyl-3-furanyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C2=NN=C(O2)COC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(O1)C)C2=NN=C(O2)COC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O6S/c1-9-6-12(10(2)25-9)16-19-18-15(26-16)8-24-17(21)11-4-5-14(27-3)13(7-11)20(22)23/h4-7H,8H2,1-3H3