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

Systemtic Name: [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [5-(2-furanyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C15H11N3O6S MolecularWeight: 361.32934

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O6S/c1-25-12-5-4-9(7-10(12)18(20)21)15(19)23-8-13-16-17-14(24-13)11-3-2-6-22-11/h2-7H,8H2,1H3