(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C15H11N3O5S2 MolecularWeight: 377.39494

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O5S2/c1-24-12-3-2-9(6-11(12)18(20)21)15(19)22-7-13-16-14(17-23-13)10-4-5-25-8-10/h2-6,8H,7H2,1H3