4'-(4-bromophenyl)-7'-chloranyl-spiro[1H-indole-3,2'-5H-1,5-benzothiazepine]-2-one

Systemtic Name: 4'-(4-bromophenyl)-7'-chloranyl-spiro[1H-indole-3,2'-5H-1,5-benzothiazepine]-2-one Openeye Name: 4-(4-bromophenyl)-7-chloro-spiro[5H-1,5-benzothiazepine-2,3'-indoline]-2'-one CAS Name: 4'-(4-bromophenyl)-7'-chloro-2-spiro[1H-indole-3,2'-5H-1,5-benzothiazepine]one IUPAC Name: 4'-(4-bromophenyl)-7'-chlorospiro[1H-indole-3,2'-5H-1,5-benzothiazepine]-2-one Traditional Name: 4-(4-bromophenyl)-7-chloro-spiro[5H-1,5-benzothiazepine-2,3'-indoline]-2'-one Formula: C22H14BrClN2OS MolecularWeight: 469.78136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3(C=C(NC4=C(S3)C=CC(=C4)Cl)C5=CC=C(C=C5)Br)C(=O)N2

Isomeric SMILES

C1=CC=C2C(=C1)C3(C=C(NC4=C(S3)C=CC(=C4)Cl)C5=CC=C(C=C5)Br)C(=O)N2

InChI

InChI=1S/C22H14BrClN2OS/c23-14-7-5-13(6-8-14)19-12-22(16-3-1-2-4-17(16)26-21(22)27)28-20-10-9-15(24)11-18(20)25-19/h1-12,25H,(H,26,27)