tert-butyl 2-[[2-(ethanoylsulfanylmethyl)-3,3,3-tris(fluoranyl)propanoyl]amino]-3-(2H-1,2,3,4-tetrazol-5-yl)propanoate

Systemtic Name: tert-butyl 2-[[2-(ethanoylsulfanylmethyl)-3,3,3-tris(fluoranyl)propanoyl]amino]-3-(2H-1,2,3,4-tetrazol-5-yl)propanoate Openeye Name: tert-butyl 2-[[2-(acetylsulfanylmethyl)-3,3,3-trifluoro-propanoyl]amino]-3-(2H-tetrazol-5-yl)propanoate CAS Name: 2-[[2-[(acetylthio)methyl]-3,3,3-trifluoro-1-oxopropyl]amino]-3-(2H-tetrazol-5-yl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(acetylsulfanylmethyl)-3,3,3-trifluoropropanoyl]amino]-3-(2H-tetrazol-5-yl)propanoate Traditional Name: 2-[[2-[(acetylthio)methyl]-3,3,3-trifluoro-propanoyl]amino]-3-(2H-tetrazol-5-yl)propionic acid tert-butyl ester Formula: C14H20F3N5O4S MolecularWeight: 411.39991

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C(=O)NC(CC1=NNN=N1)C(=O)OC(C)(C)C)C(F)(F)F

Isomeric SMILES

CC(=O)SCC(C(=O)NC(CC1=NNN=N1)C(=O)OC(C)(C)C)C(F)(F)F

InChI

InChI=1S/C14H20F3N5O4S/c1-7(23)27-6-8(14(15,16)17)11(24)18-9(5-10-19-21-22-20-10)12(25)26-13(2,3)4/h8-9H,5-6H2,1-4H3,(H,18,24)(H,19,20,21,22)