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

Systemtic Name: methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitro-benzoate Openeye Name: methyl 2-[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitro-benzoate CAS Name: 2-[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitrobenzoate Traditional Name: 2-[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]thio]-5-nitro-benzoic acid methyl ester Formula: C14H9N3O6S MolecularWeight: 347.30276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NN=C(O2)C3=CC=CO3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NN=C(O2)C3=CC=CO3

InChI

InChI=1S/C14H9N3O6S/c1-21-13(18)9-7-8(17(19)20)4-5-11(9)24-14-16-15-12(23-14)10-3-2-6-22-10/h2-7H,1H3