(3-fluoranyl-4-isothiocyanato-5-methyl-phenyl) 2-fluoranyl-4,6-dimethyl-benzoate

Systemtic Name: (3-fluoranyl-4-isothiocyanato-5-methyl-phenyl) 2-fluoranyl-4,6-dimethyl-benzoate Openeye Name: (3-fluoro-4-isothiocyanato-5-methyl-phenyl) 2-fluoro-4,6-dimethyl-benzoate CAS Name: 2-fluoro-4,6-dimethylbenzoic acid (3-fluoro-4-isothiocyanato-5-methylphenyl) ester IUPAC Name: (3-fluoro-4-isothiocyanato-5-methylphenyl) 2-fluoro-4,6-dimethylbenzoate Traditional Name: 2-fluoro-4,6-dimethyl-benzoic acid (3-fluoro-4-isothiocyanato-5-methyl-phenyl) ester Formula: C17H13F2NO2S MolecularWeight: 333.352426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)F)C(=O)OC2=CC(=C(C(=C2)C)N=C=S)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)F)C(=O)OC2=CC(=C(C(=C2)C)N=C=S)F)C

InChI

InChI=1S/C17H13F2NO2S/c1-9-4-10(2)15(13(18)5-9)17(21)22-12-6-11(3)16(20-8-23)14(19)7-12/h4-7H,1-3H3