N-(3-ethanoylphenyl)-2-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)ethanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide CAS Name: N-(3-acetylphenyl)-2-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)acetamide IUPAC Name: N-(3-acetylphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide Traditional Name: N-(3-acetylphenyl)-2-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C22H17N3O3S/c1-14(26)15-6-4-7-16(12-15)24-20(27)13-25-18-9-5-11-23-21(18)29-19-10-3-2-8-17(19)22(25)28/h2-12H,13H2,1H3,(H,24,27)