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

Systemtic Name: 3-(azepan-1-ylcarbonyl)-5-ethyl-11-oxidanylidene-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-(azepane-1-carbonyl)-5-ethyl-11-oxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[1-azepanyl(oxo)methyl]-5-ethyl-11-oxo-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 3-(azepane-1-carbonyl)-5-ethyl-11-oxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-(azepane-1-carbonyl)-5-ethyl-11-keto-benzo[b][1,4]benzothiazepin-6-one Formula: C22H24N2O3S MolecularWeight: 396.50256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)N3CCCCCC3)S(=O)C4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)N3CCCCCC3)S(=O)C4=CC=CC=C4C1=O

InChI

InChI=1S/C22H24N2O3S/c1-2-24-18-15-16(21(25)23-13-7-3-4-8-14-23)11-12-20(18)28(27)19-10-6-5-9-17(19)22(24)26/h5-6,9-12,15H,2-4,7-8,13-14H2,1H3