1-methoxyethyl 2-chloranyl-4-fluoranyl-5-isothiocyanato-benzoate

Systemtic Name: 1-methoxyethyl 2-chloranyl-4-fluoranyl-5-isothiocyanato-benzoate Openeye Name: 1-methoxyethyl 2-chloro-4-fluoro-5-isothiocyanato-benzoate CAS Name: 2-chloro-4-fluoro-5-isothiocyanatobenzoic acid 1-methoxyethyl ester IUPAC Name: 1-methoxyethyl 2-chloro-4-fluoro-5-isothiocyanatobenzoate Traditional Name: 2-chloro-4-fluoro-5-isothiocyanato-benzoic acid 1-methoxyethyl ester Formula: C11H9ClFNO3S MolecularWeight: 289.710463

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OC(=O)C1=CC(=C(C=C1Cl)F)N=C=S

Isomeric SMILES

CC(OC)OC(=O)C1=CC(=C(C=C1Cl)F)N=C=S

InChI

InChI=1S/C11H9ClFNO3S/c1-6(16-2)17-11(15)7-3-10(14-5-18)9(13)4-8(7)12/h3-4,6H,1-2H3