methyl 2-fluoranyl-11-oxidanylidene-benzo[b][1]benzothiepine-9-carboxylate

Systemtic Name: methyl 2-fluoranyl-11-oxidanylidene-benzo[b][1]benzothiepine-9-carboxylate Openeye Name: methyl 2-fluoro-11-oxo-benzo[b][1]benzothiepine-9-carboxylate CAS Name: 2-fluoro-11-oxo-9-benzo[b][1]benzothiepincarboxylic acid methyl ester IUPAC Name: methyl 2-fluoro-11-oxobenzo[b][1]benzothiepine-9-carboxylate Traditional Name: 2-fluoro-11-keto-benzo[b][1]benzothiepin-9-carboxylic acid methyl ester Formula: C16H11FO3S MolecularWeight: 302.320143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC3=C(S2=O)C=C(C=C3)F)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC3=C(S2=O)C=C(C=C3)F)C=C1

InChI

InChI=1S/C16H11FO3S/c1-20-16(18)12-5-4-10-2-3-11-6-7-13(17)9-15(11)21(19)14(10)8-12/h2-9H,1H3