methyl 2,4-bis(fluoranyl)-5-(thian-4-ylamino)benzoate

Systemtic Name: methyl 2,4-bis(fluoranyl)-5-(thian-4-ylamino)benzoate Openeye Name: methyl 2,4-difluoro-5-(tetrahydrothiopyran-4-ylamino)benzoate CAS Name: 2,4-difluoro-5-(4-thianylamino)benzoic acid methyl ester IUPAC Name: methyl 2,4-difluoro-5-(thian-4-ylamino)benzoate Traditional Name: 2,4-difluoro-5-(tetrahydrothiopyran-4-ylamino)benzoic acid methyl ester Formula: C13H15F2NO2S MolecularWeight: 287.325506

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1F)F)NC2CCSCC2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1F)F)NC2CCSCC2

InChI

InChI=1S/C13H15F2NO2S/c1-18-13(17)9-6-12(11(15)7-10(9)14)16-8-2-4-19-5-3-8/h6-8,16H,2-5H2,1H3