8-bromanyl-6-ethyl-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-bromanyl-6-ethyl-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-bromo-6-ethyl-N-(tetrahydrofuran-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-bromo-6-ethyl-N-(2-oxolanylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-bromo-6-ethyl-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-bromo-6-ethyl-N-(tetrahydrofurfuryl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H21BrN2O2S MolecularWeight: 445.37264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCC3CCCO3)SC4=C1C=C(C=C4)Br

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCC3CCCO3)SC4=C1C=C(C=C4)Br

InChI

InChI=1S/C21H21BrN2O2S/c1-2-17-16-11-14(22)6-8-19(16)27-20-7-5-13(10-18(20)24-17)21(25)23-12-15-4-3-9-26-15/h5-8,10-11,15H,2-4,9,12H2,1H3,(H,23,25)