5-chloranyl-3-ethoxy-9-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepine

Systemtic Name: 5-chloranyl-3-ethoxy-9-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepine Openeye Name: 5-chloro-3-ethoxy-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepine CAS Name: 5-chloro-3-ethoxy-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin IUPAC Name: 5-chloro-3-ethoxy-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepine Traditional Name: 5-chloro-3-ethoxy-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin Formula: C16H14ClFOS MolecularWeight: 308.798163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)SC3=C(CC2Cl)C=CC(=C3)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)SC3=C(CC2Cl)C=CC(=C3)F

InChI

InChI=1S/C16H14ClFOS/c1-2-19-12-5-6-15-13(9-12)14(17)7-10-3-4-11(18)8-16(10)20-15/h3-6,8-9,14H,2,7H2,1H3