tert-butyl (2E)-2-[5-azanylperoxysulfanyl-2-(methoxycarbonylamino)pyran-4-ylidene]-2-isocyano-ethanoate

Systemtic Name: tert-butyl (2E)-2-[5-azanylperoxysulfanyl-2-(methoxycarbonylamino)pyran-4-ylidene]-2-isocyano-ethanoate Openeye Name: tert-butyl (2E)-2-[5-aminoperoxysulfanyl-2-(methoxycarbonylamino)pyran-4-ylidene]-2-isocyano-acetate CAS Name: (2E)-2-[5-(aminodioxythio)-2-(methoxycarbonylamino)-4-pyranylidene]-2-isocyanoacetic acid tert-butyl ester IUPAC Name: tert-butyl (2E)-2-[5-aminoperoxysulfanyl-2-(methoxycarbonylamino)pyran-4-ylidene]-2-isocyanoacetate Traditional Name: (2E)-2-[5-(aminoperoxythio)-2-(carbomethoxyamino)pyran-4-ylidene]-2-isocyano-acetic acid tert-butyl ester Formula: C14H17N3O7S MolecularWeight: 371.36568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=C1C=C(OC=C1SOON)NC(=O)OC)[N+]#[C-]

Isomeric SMILES

CC(C)(C)OC(=O)/C(=C\1/C=C(OC=C1SOON)NC(=O)OC)/[N+]#[C-]

InChI

InChI=1S/C14H17N3O7S/c1-14(2,3)22-12(18)11(16-4)8-6-10(17-13(19)20-5)21-7-9(8)25-24-23-15/h6-7H,15H2,1-3,5H3,(H,17,19)/b11-8+