(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-(3-nitrophenyl)sulfonyloxybenzoate

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-(3-nitrophenyl)sulfonyloxybenzoate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 4-(3-nitrophenyl)sulfonyloxybenzoate CAS Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-(3-nitrophenyl)sulfonyloxybenzoate Traditional Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C20H13N3O8S2 MolecularWeight: 487.46252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC3=NOC(=N3)C4=CSC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC3=NOC(=N3)C4=CSC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H13N3O8S2/c24-20(29-11-18-21-19(30-22-18)14-8-9-32-12-14)13-4-6-16(7-5-13)31-33(27,28)17-3-1-2-15(10-17)23(25)26/h1-10,12H,11H2