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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)SC1=C(C=C(C(=C1)N=C=S)F)Cl

Isomeric SMILES

CCCCOC(=O)C(C)SC1=C(C=C(C(=C1)N=C=S)F)Cl

InChI

InChI=1S/C14H15ClFNO2S2/c1-3-4-5-19-14(18)9(2)21-13-7-12(17-8-20)11(16)6-10(13)15/h6-7,9H,3-5H2,1-2H3