methyl 3-fluoranyl-6-(2-methoxy-2-phenyl-ethanoyl)oxy-11-oxidanylidene-benzo[b][1]benzothiepine-9-carboxylate

Systemtic Name: methyl 3-fluoranyl-6-(2-methoxy-2-phenyl-ethanoyl)oxy-11-oxidanylidene-benzo[b][1]benzothiepine-9-carboxylate Openeye Name: methyl 3-fluoro-6-(2-methoxy-2-phenyl-acetyl)oxy-11-oxo-benzo[b][1]benzothiepine-9-carboxylate CAS Name: 3-fluoro-6-(2-methoxy-1-oxo-2-phenylethoxy)-11-oxo-9-benzo[b][1]benzothiepincarboxylic acid methyl ester IUPAC Name: methyl 3-fluoro-6-(2-methoxy-2-phenylacetyl)oxy-11-oxobenzo[b][1]benzothiepine-9-carboxylate Traditional Name: 3-fluoro-11-keto-6-(2-methoxy-2-phenyl-acetyl)oxy-benzo[b][1]benzothiepin-9-carboxylic acid methyl ester Formula: C25H19FO6S MolecularWeight: 466.478163

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)C(=O)OC2=CC3=C(C=CC(=C3)F)S(=O)C4=C2C=CC(=C4)C(=O)OC

Isomeric SMILES

COC(C1=CC=CC=C1)C(=O)OC2=CC3=C(C=CC(=C3)F)S(=O)C4=C2C=CC(=C4)C(=O)OC

InChI

InChI=1S/C25H19FO6S/c1-30-23(15-6-4-3-5-7-15)25(28)32-20-13-17-12-18(26)9-11-21(17)33(29)22-14-16(24(27)31-2)8-10-19(20)22/h3-14,23H,1-2H3