tert-butyl 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenoxy)propanoate

Systemtic Name: tert-butyl 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenoxy)propanoate Openeye Name: tert-butyl 2-(2-chloro-4-fluoro-5-isothiocyanato-phenoxy)propanoate CAS Name: 2-(2-chloro-4-fluoro-5-isothiocyanatophenoxy)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-chloro-4-fluoro-5-isothiocyanatophenoxy)propanoate Traditional Name: 2-(2-chloro-4-fluoro-5-isothiocyanato-phenoxy)propionic acid tert-butyl ester Formula: C14H15ClFNO3S MolecularWeight: 331.790203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)OC1=C(C=C(C(=C1)N=C=S)F)Cl

Isomeric SMILES

CC(C(=O)OC(C)(C)C)OC1=C(C=C(C(=C1)N=C=S)F)Cl

InChI

InChI=1S/C14H15ClFNO3S/c1-8(13(18)20-14(2,3)4)19-12-6-11(17-7-21)10(16)5-9(12)15/h5-6,8H,1-4H3