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

Systemtic Name: N-(3-ethoxypropyl)-4-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide Openeye Name: N-(3-ethoxypropyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide CAS Name: N-(3-ethoxypropyl)-4-(5-oxo-6-pyrido[2,3-b][1,5]benzothiazepinyl)butanamide IUPAC Name: N-(3-ethoxypropyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide Traditional Name: N-(3-ethoxypropyl)-4-(5-ketopyrido[2,3-b][1,5]benzothiazepin-6-yl)butyramide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)CCCN1C2=CC=CC=C2SC3=C(C1=O)C=CC=N3

Isomeric SMILES

CCOCCCNC(=O)CCCN1C2=CC=CC=C2SC3=C(C1=O)C=CC=N3

InChI

InChI=1S/C21H25N3O3S/c1-2-27-15-7-13-22-19(25)11-6-14-24-17-9-3-4-10-18(17)28-20-16(21(24)26)8-5-12-23-20/h3-5,8-10,12H,2,6-7,11,13-15H2,1H3,(H,22,25)