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

Systemtic Name: 4-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(2-pyrrolidin-1-ylethyl)butanamide Openeye Name: 4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(2-pyrrolidin-1-ylethyl)butanamide CAS Name: 4-(5-oxo-6-pyrido[2,3-b][1,5]benzothiazepinyl)-N-[2-(1-pyrrolidinyl)ethyl]butanamide IUPAC Name: 4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(2-pyrrolidin-1-ylethyl)butanamide Traditional Name: 4-(5-ketopyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(2-pyrrolidinoethyl)butyramide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

Isomeric SMILES

C1CCN(C1)CCNC(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

InChI

InChI=1S/C22H26N4O2S/c27-20(23-12-16-25-13-3-4-14-25)10-6-15-26-18-8-1-2-9-19(18)29-21-17(22(26)28)7-5-11-24-21/h1-2,5,7-9,11H,3-4,6,10,12-16H2,(H,23,27)