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

Systemtic Name: N-(furan-2-ylmethyl)-4-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide Openeye Name: N-(2-furylmethyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide CAS Name: N-(2-furanylmethyl)-4-(5-oxo-6-pyrido[2,3-b][1,5]benzothiazepinyl)butanamide IUPAC Name: N-(furan-2-ylmethyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide Traditional Name: N-(2-furfuryl)-4-(5-ketopyrido[2,3-b][1,5]benzothiazepin-6-yl)butyramide Formula: C21H19N3O3S MolecularWeight: 393.45886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C3=C(S2)N=CC=C3)CCCC(=O)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C3=C(S2)N=CC=C3)CCCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C21H19N3O3S/c25-19(23-14-15-6-5-13-27-15)10-4-12-24-17-8-1-2-9-18(17)28-20-16(21(24)26)7-3-11-22-20/h1-3,5-9,11,13H,4,10,12,14H2,(H,23,25)