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

Systemtic Name: tert-butyl 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylethanoate Openeye Name: tert-butyl 2-(2-chloro-4-fluoro-5-isothiocyanato-phenyl)sulfanylacetate CAS Name: 2-[(2-chloro-4-fluoro-5-isothiocyanatophenyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-chloro-4-fluoro-5-isothiocyanatophenyl)sulfanylacetate Traditional Name: 2-[(2-chloro-4-fluoro-5-isothiocyanato-phenyl)thio]acetic acid tert-butyl ester Formula: C13H13ClFNO2S2 MolecularWeight: 333.829223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=C(C=C(C(=C1)N=C=S)F)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=C(C=C(C(=C1)N=C=S)F)Cl

InChI

InChI=1S/C13H13ClFNO2S2/c1-13(2,3)18-12(17)6-20-11-5-10(16-7-19)9(15)4-8(11)14/h4-5H,6H2,1-3H3