tert-butyl 4-[3-azanyl-2-(fluoranylamino)-3-oxidanylidene-propyl]sulfanyl-2-(oxidanylideneboranylmethylideneamino)butanoate

Systemtic Name: tert-butyl 4-[3-azanyl-2-(fluoranylamino)-3-oxidanylidene-propyl]sulfanyl-2-(oxidanylideneboranylmethylideneamino)butanoate Openeye Name: tert-butyl 4-[3-amino-2-(fluoroamino)-3-oxo-propyl]sulfanyl-2-(oxoboranylmethyleneamino)butanoate CAS Name: 4-[[3-amino-2-(fluoroamino)-3-oxopropyl]thio]-2-(oxoboranylmethylideneamino)butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-amino-2-(fluoroamino)-3-oxopropyl]sulfanyl-2-(oxoboranylmethylideneamino)butanoate Traditional Name: 4-[[3-amino-2-(fluoroamino)-3-keto-propyl]thio]-2-(ketoboranylmethyleneamino)butyric acid tert-butyl ester Formula: C12H21BFN3O4S MolecularWeight: 333.187243

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Descriptors Computed from Structure

Canonical SMILES:

B(=O)C=NC(CCSCC(C(=O)N)NF)C(=O)OC(C)(C)C

Isomeric SMILES

B(=O)C=NC(CCSCC(C(=O)N)NF)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H21BFN3O4S/c1-12(2,3)21-11(19)8(16-7-13-20)4-5-22-6-9(17-14)10(15)18/h7-9,17H,4-6H2,1-3H3,(H2,15,18)