[4-[(4-aminocarbonyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)methylsulfanyl]phenyl]carbonyloxymethyl 2-acetyloxybenzoate

Systemtic Name: [4-[(4-aminocarbonyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)methylsulfanyl]phenyl]carbonyloxymethyl 2-acetyloxybenzoate Openeye Name: [4-[(4-carbamoyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methylsulfanyl]benzoyl]oxymethyl 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid [[4-[(4-carbamoyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methylthio]phenyl]-oxomethoxy]methyl ester IUPAC Name: [4-[(4-carbamoyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methylsulfanyl]benzoyl]oxymethyl 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid [4-[(4-carbamoyl-5-oxido-furazan-5-ium-3-yl)methylthio]benzoyl]oxymethyl ester Formula: C21H17N3O9S MolecularWeight: 487.43938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)OCOC(=O)C2=CC=C(C=C2)SCC3=NO[N+](=C3C(=O)N)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)OCOC(=O)C2=CC=C(C=C2)SCC3=NO[N+](=C3C(=O)N)[O-]

InChI

InChI=1S/C21H17N3O9S/c1-12(25)32-17-5-3-2-4-15(17)21(28)31-11-30-20(27)13-6-8-14(9-7-13)34-10-16-18(19(22)26)24(29)33-23-16/h2-9H,10-11H2,1H3,(H2,22,26)