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

Systemtic Name: 4-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(2-thiophen-2-ylethyl)butanamide Openeye Name: 4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-[2-(2-thienyl)ethyl]butanamide CAS Name: 4-(5-oxo-6-pyrido[2,3-b][1,5]benzothiazepinyl)-N-(2-thiophen-2-ylethyl)butanamide IUPAC Name: 4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(2-thiophen-2-ylethyl)butanamide Traditional Name: 4-(5-ketopyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-[2-(2-thienyl)ethyl]butyramide Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C3=C(S2)N=CC=C3)CCCC(=O)NCCC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C3=C(S2)N=CC=C3)CCCC(=O)NCCC4=CC=CS4

InChI

InChI=1S/C22H21N3O2S2/c26-20(23-13-11-16-6-5-15-28-16)10-4-14-25-18-8-1-2-9-19(18)29-21-17(22(25)27)7-3-12-24-21/h1-3,5-9,12,15H,4,10-11,13-14H2,(H,23,26)