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

Systemtic Name: [4-[(4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)methylsulfanyl]phenyl]carbonyloxymethyl 2-acetyloxybenzoate Openeye Name: [4-[(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methylsulfanyl]benzoyl]oxymethyl 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid [[4-[(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methylthio]phenyl]-oxomethoxy]methyl ester IUPAC Name: [4-[(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methylsulfanyl]benzoyl]oxymethyl 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid [4-[(4-methyl-5-oxido-furazan-5-ium-3-yl)methylthio]benzoyl]oxymethyl ester Formula: C21H18N2O8S MolecularWeight: 458.44122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](ON=C1CSC2=CC=C(C=C2)C(=O)OCOC(=O)C3=CC=CC=C3OC(=O)C)[O-]

Isomeric SMILES

CC1=[N+](ON=C1CSC2=CC=C(C=C2)C(=O)OCOC(=O)C3=CC=CC=C3OC(=O)C)[O-]

InChI

InChI=1S/C21H18N2O8S/c1-13-18(22-31-23(13)27)11-32-16-9-7-15(8-10-16)20(25)28-12-29-21(26)17-5-3-4-6-19(17)30-14(2)24/h3-10H,11-12H2,1-2H3