N-cyclooctyl-3-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)propanamide

Systemtic Name: N-cyclooctyl-3-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)propanamide Openeye Name: N-cyclooctyl-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)propanamide CAS Name: N-cyclooctyl-3-(5-oxo-6-pyrido[2,3-b][1,5]benzothiazepinyl)propanamide IUPAC Name: N-cyclooctyl-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)propanamide Traditional Name: N-cyclooctyl-3-(5-ketopyrido[2,3-b][1,5]benzothiazepin-6-yl)propionamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

InChI

InChI=1S/C23H27N3O2S/c27-21(25-17-9-4-2-1-3-5-10-17)14-16-26-19-12-6-7-13-20(19)29-22-18(23(26)28)11-8-15-24-22/h6-8,11-13,15,17H,1-5,9-10,14,16H2,(H,25,27)