(4-acetyloxyoxolan-3-yl) 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylethanoate

Systemtic Name: (4-acetyloxyoxolan-3-yl) 2-(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl)sulfanylethanoate Openeye Name: (4-acetoxytetrahydrofuran-3-yl) 2-(2-chloro-4-fluoro-5-isothiocyanato-phenyl)sulfanylacetate CAS Name: 2-[(2-chloro-4-fluoro-5-isothiocyanatophenyl)thio]acetic acid (4-acetyloxy-3-oxolanyl) ester IUPAC Name: (4-acetyloxyoxolan-3-yl) 2-(2-chloro-4-fluoro-5-isothiocyanatophenyl)sulfanylacetate Traditional Name: 2-[(2-chloro-4-fluoro-5-isothiocyanato-phenyl)thio]acetic acid (4-acetoxytetrahydrofuran-3-yl) ester Formula: C15H13ClFNO5S2 MolecularWeight: 405.848823

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COCC1OC(=O)CSC2=C(C=C(C(=C2)N=C=S)F)Cl

Isomeric SMILES

CC(=O)OC1COCC1OC(=O)CSC2=C(C=C(C(=C2)N=C=S)F)Cl

InChI

InChI=1S/C15H13ClFNO5S2/c1-8(19)22-12-4-21-5-13(12)23-15(20)6-25-14-3-11(18-7-24)10(17)2-9(14)16/h2-3,12-13H,4-6H2,1H3