(11R,11aS)-11-(5-bromanyl-2-oxidanyl-phenyl)-11,11a-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

Systemtic Name: (11R,11aS)-11-(5-bromanyl-2-oxidanyl-phenyl)-11,11a-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one Openeye Name: (11R,11aS)-11-(5-bromo-2-hydroxy-phenyl)-11,11a-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one CAS Name: (11R,11aS)-11-(5-bromo-2-hydroxyphenyl)-11,11a-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one IUPAC Name: (11R,11aS)-11-(5-bromo-2-hydroxyphenyl)-11,11a-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one Traditional Name: (11R,11aS)-11-(5-bromo-2-hydroxy-phenyl)-11,11a-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one Formula: C22H14BrNO2S MolecularWeight: 436.32106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=NC4=CC=CC=C4SC(C3C2=O)C5=C(C=CC(=C5)Br)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=NC4=CC=CC=C4S[C@H]([C@@H]3C2=O)C5=C(C=CC(=C5)Br)O

InChI

InChI=1S/C22H14BrNO2S/c23-12-9-10-17(25)15(11-12)22-19-20(13-5-1-2-6-14(13)21(19)26)24-16-7-3-4-8-18(16)27-22/h1-11,19,22,25H/t19-,22-/m0/s1