(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C20H12ClFO5S MolecularWeight: 418.822683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C20H12ClFO5S/c1-25-12-3-5-13-10(6-17(23)27-15(13)8-12)9-26-20(24)19-18(21)14-4-2-11(22)7-16(14)28-19/h2-8H,9H2,1H3