tert-butyl 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylpropanoate

Systemtic Name: tert-butyl 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylpropanoate Openeye Name: tert-butyl 2-(2-chloro-4-fluoro-5-isothiocyanato-phenyl)sulfanylpropanoate CAS Name: 2-[(2-chloro-4-fluoro-5-isothiocyanatophenyl)thio]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-chloro-4-fluoro-5-isothiocyanatophenyl)sulfanylpropanoate Traditional Name: 2-[(2-chloro-4-fluoro-5-isothiocyanato-phenyl)thio]propionic acid tert-butyl ester Formula: C14H15ClFNO2S2 MolecularWeight: 347.855803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)SC1=C(C=C(C(=C1)N=C=S)F)Cl

Isomeric SMILES

CC(C(=O)OC(C)(C)C)SC1=C(C=C(C(=C1)N=C=S)F)Cl

InChI

InChI=1S/C14H15ClFNO2S2/c1-8(13(18)19-14(2,3)4)21-12-6-11(17-7-20)10(16)5-9(12)15/h5-6,8H,1-4H3