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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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