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

Systemtic Name: N-(4-methylpyridin-2-yl)-4-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide Openeye Name: N-(4-methyl-2-pyridyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide CAS Name: N-(4-methyl-2-pyridinyl)-4-(5-oxo-6-pyrido[2,3-b][1,5]benzothiazepinyl)butanamide IUPAC Name: N-(4-methylpyridin-2-yl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide Traditional Name: 4-(5-ketopyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(4-methyl-2-pyridyl)butyramide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

Isomeric SMILES

CC1=CC(=NC=C1)NC(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

InChI

InChI=1S/C22H20N4O2S/c1-15-10-12-23-19(14-15)25-20(27)9-5-13-26-17-7-2-3-8-18(17)29-21-16(22(26)28)6-4-11-24-21/h2-4,6-8,10-12,14H,5,9,13H2,1H3,(H,23,25,27)