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

Systemtic Name: 4-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(3-propan-2-yloxypropyl)butanamide Openeye Name: N-(3-isopropoxypropyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide CAS Name: 4-(5-oxo-6-pyrido[2,3-b][1,5]benzothiazepinyl)-N-(3-propan-2-yloxypropyl)butanamide IUPAC Name: 4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(3-propan-2-yloxypropyl)butanamide Traditional Name: N-(3-isopropoxypropyl)-4-(5-ketopyrido[2,3-b][1,5]benzothiazepin-6-yl)butyramide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-16(2)28-15-7-13-23-20(26)11-6-14-25-18-9-3-4-10-19(18)29-21-17(22(25)27)8-5-12-24-21/h3-5,8-10,12,16H,6-7,11,13-15H2,1-2H3,(H,23,26)