11-(5-bromanyl-2-fluoranyl-phenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

Systemtic Name: 11-(5-bromanyl-2-fluoranyl-phenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one Openeye Name: 11-(5-bromo-2-fluoro-phenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one CAS Name: 11-(5-bromo-2-fluorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one IUPAC Name: 11-(5-bromo-2-fluorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one Traditional Name: 11-(5-bromo-2-fluoro-phenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one Formula: C22H13BrFNOS MolecularWeight: 438.312123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C2=O)C(SC4=CC=CC=C4N3)C5=C(C=CC(=C5)Br)F

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C2=O)C(SC4=CC=CC=C4N3)C5=C(C=CC(=C5)Br)F

InChI

InChI=1S/C22H13BrFNOS/c23-12-9-10-16(24)15(11-12)22-19-20(13-5-1-2-6-14(13)21(19)26)25-17-7-3-4-8-18(17)27-22/h1-11,22,25H