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

Systemtic Name: [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-(3-methylbutylsulfanyl)-3-nitro-benzoate Openeye Name: [5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl 4-isopentylsulfanyl-3-nitro-benzoate CAS Name: 4-(3-methylbutylthio)-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-(3-methylbutylsulfanyl)-3-nitrobenzoate Traditional Name: 4-(isoamylthio)-3-nitro-benzoic acid [5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6S/c1-12(2)7-9-29-16-6-5-13(10-14(16)22(24)25)19(23)27-11-17-20-21-18(28-17)15-4-3-8-26-15/h3-6,8,10,12H,7,9,11H2,1-2H3