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

Systemtic Name: methyl 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylethanoate Openeye Name: methyl 2-(2-chloro-4-fluoro-5-isothiocyanato-phenyl)sulfanylacetate CAS Name: 2-[(2-chloro-4-fluoro-5-isothiocyanatophenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-chloro-4-fluoro-5-isothiocyanatophenyl)sulfanylacetate Traditional Name: 2-[(2-chloro-4-fluoro-5-isothiocyanato-phenyl)thio]acetic acid methyl ester Formula: C10H7ClFNO2S2 MolecularWeight: 291.749483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=C(C(=C1)N=C=S)F)Cl

Isomeric SMILES

COC(=O)CSC1=C(C=C(C(=C1)N=C=S)F)Cl

InChI

InChI=1S/C10H7ClFNO2S2/c1-15-10(14)4-17-9-3-8(13-5-16)7(12)2-6(9)11/h2-3H,4H2,1H3