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

Systemtic Name: methyl 3-fluoranyl-6-(2-methoxy-2-phenyl-ethanoyl)oxy-benzo[b][1]benzothiepine-9-carboxylate Openeye Name: methyl 3-fluoro-6-(2-methoxy-2-phenyl-acetyl)oxy-benzo[b][1]benzothiepine-9-carboxylate CAS Name: 3-fluoro-6-(2-methoxy-1-oxo-2-phenylethoxy)-9-benzo[b][1]benzothiepincarboxylic acid methyl ester IUPAC Name: methyl 3-fluoro-6-(2-methoxy-2-phenylacetyl)oxybenzo[b][1]benzothiepine-9-carboxylate Traditional Name: 3-fluoro-6-(2-methoxy-2-phenyl-acetyl)oxy-benzo[b][1]benzothiepin-9-carboxylic acid methyl ester Formula: C25H19FO5S MolecularWeight: 450.478763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)C(=O)OC2=CC3=C(C=CC(=C3)F)SC4=C2C=CC(=C4)C(=O)OC

Isomeric SMILES

COC(C1=CC=CC=C1)C(=O)OC2=CC3=C(C=CC(=C3)F)SC4=C2C=CC(=C4)C(=O)OC

InChI

InChI=1S/C25H19FO5S/c1-29-23(15-6-4-3-5-7-15)25(28)31-20-13-17-12-18(26)9-11-21(17)32-22-14-16(24(27)30-2)8-10-19(20)22/h3-14,23H,1-2H3