5-ethyl-3-morpholin-4-ylcarbonyl-11,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-ethyl-3-morpholin-4-ylcarbonyl-11,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-ethyl-3-(morpholine-4-carbonyl)-11,11-dioxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-ethyl-3-[4-morpholinyl(oxo)methyl]-11,11-dioxo-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-ethyl-3-(morpholine-4-carbonyl)-11,11-dioxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-ethyl-11,11-diketo-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C20H20N2O5S MolecularWeight: 400.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4C1=O

InChI

InChI=1S/C20H20N2O5S/c1-2-22-16-13-14(19(23)21-9-11-27-12-10-21)7-8-18(16)28(25,26)17-6-4-3-5-15(17)20(22)24/h3-8,13H,2,9-12H2,1H3