methyl 2-(7-chloranyl-6-fluoranyl-4-oxidanyl-2H-thiochromen-3-yl)-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-(7-chloranyl-6-fluoranyl-4-oxidanyl-2H-thiochromen-3-yl)-2-oxidanylidene-ethanoate Openeye Name: methyl 2-(7-chloro-6-fluoro-4-hydroxy-2H-thiochromen-3-yl)-2-oxo-acetate CAS Name: 2-(7-chloro-6-fluoro-4-hydroxy-2H-1-benzothiopyran-3-yl)-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-(7-chloro-6-fluoro-4-hydroxy-2H-thiochromen-3-yl)-2-oxoacetate Traditional Name: 2-(7-chloro-6-fluoro-4-hydroxy-2H-thiochromen-3-yl)-2-keto-acetic acid methyl ester Formula: C12H8ClFO4S MolecularWeight: 302.705923

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)C1=C(C2=CC(=C(C=C2SC1)Cl)F)O

Isomeric SMILES

COC(=O)C(=O)C1=C(C2=CC(=C(C=C2SC1)Cl)F)O

InChI

InChI=1S/C12H8ClFO4S/c1-18-12(17)11(16)6-4-19-9-3-7(13)8(14)2-5(9)10(6)15/h2-3,15H,4H2,1H3