methyl 4-fluoranyl-3-(thian-4-ylamino)benzoate

Systemtic Name: methyl 4-fluoranyl-3-(thian-4-ylamino)benzoate Openeye Name: methyl 4-fluoro-3-(tetrahydrothiopyran-4-ylamino)benzoate CAS Name: 4-fluoro-3-(4-thianylamino)benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-(thian-4-ylamino)benzoate Traditional Name: 4-fluoro-3-(tetrahydrothiopyran-4-ylamino)benzoic acid methyl ester Formula: C13H16FNO2S MolecularWeight: 269.335043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16FNO2S/c1-17-13(16)9-2-3-11(14)12(8-9)15-10-4-6-18-7-5-10/h2-3,8,10,15H,4-7H2,1H3