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

Systemtic Name: 4-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)-N-(oxolan-2-ylmethyl)butanamide Openeye Name: 4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)-N-(tetrahydrofuran-2-ylmethyl)butanamide CAS Name: N-(2-oxolanylmethyl)-4-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)butanamide IUPAC Name: N-(oxolan-2-ylmethyl)-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)butanamide Traditional Name: 4-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)-N-(tetrahydrofurfuryl)butyramide Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CCCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

C1CC(OC1)CNC(=O)CCCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C21H23N3O3S/c25-19(23-14-15-6-5-13-27-15)10-4-12-24-17-8-3-11-22-20(17)28-18-9-2-1-7-16(18)21(24)26/h1-3,7-9,11,15H,4-6,10,12-14H2,(H,23,25)