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

Systemtic Name: methyl 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylpropanoate Openeye Name: methyl 2-(2-chloro-4-fluoro-5-isothiocyanato-phenyl)sulfanylpropanoate CAS Name: 2-[(2-chloro-4-fluoro-5-isothiocyanatophenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-(2-chloro-4-fluoro-5-isothiocyanatophenyl)sulfanylpropanoate Traditional Name: 2-[(2-chloro-4-fluoro-5-isothiocyanato-phenyl)thio]propionic acid methyl ester Formula: C11H9ClFNO2S2 MolecularWeight: 305.776063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9ClFNO2S2/c1-6(11(15)16-2)18-10-4-9(14-5-17)8(13)3-7(10)12/h3-4,6H,1-2H3