methyl 3-fluoranyl-11-oxidanylidene-benzo[b][1]benzothiepine-9-carboxylate

Systemtic Name: methyl 3-fluoranyl-11-oxidanylidene-benzo[b][1]benzothiepine-9-carboxylate Openeye Name: methyl 3-fluoro-11-oxo-benzo[b][1]benzothiepine-9-carboxylate CAS Name: 3-fluoro-11-oxo-9-benzo[b][1]benzothiepincarboxylic acid methyl ester IUPAC Name: methyl 3-fluoro-11-oxobenzo[b][1]benzothiepine-9-carboxylate Traditional Name: 3-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=C1)C=CC3=C(S2=O)C=CC(=C3)F

Isomeric SMILES

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

InChI

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