3-ethylsulfanyl-9-fluoranyl-6H-benzo[b][1]benzothiepin-5-one

Systemtic Name: 3-ethylsulfanyl-9-fluoranyl-6H-benzo[b][1]benzothiepin-5-one Openeye Name: 3-ethylsulfanyl-9-fluoro-6H-benzo[b][1]benzothiepin-5-one CAS Name: 3-(ethylthio)-9-fluoro-6H-benzo[b][1]benzothiepin-5-one IUPAC Name: 3-ethylsulfanyl-9-fluoro-6H-benzo[b][1]benzothiepin-5-one Traditional Name: 3-(ethylthio)-9-fluoro-6H-benzo[b][1]benzothiepin-5-one Formula: C16H13FOS2 MolecularWeight: 304.402223

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC2=C(C=C1)SC3=C(CC2=O)C=CC(=C3)F

Isomeric SMILES

CCSC1=CC2=C(C=C1)SC3=C(CC2=O)C=CC(=C3)F

InChI

InChI=1S/C16H13FOS2/c1-2-19-12-5-6-15-13(9-12)14(18)7-10-3-4-11(17)8-16(10)20-15/h3-6,8-9H,2,7H2,1H3