N-(3-ethylphenyl)-2-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)ethanamide

Systemtic Name: N-(3-ethylphenyl)-2-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)ethanamide Openeye Name: N-(3-ethylphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide CAS Name: N-(3-ethylphenyl)-2-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)acetamide IUPAC Name: N-(3-ethylphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide Traditional Name: N-(3-ethylphenyl)-2-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)CN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)CN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C22H19N3O2S/c1-2-15-7-5-8-16(13-15)24-20(26)14-25-18-10-6-12-23-21(18)28-19-11-4-3-9-17(19)22(25)27/h3-13H,2,14H2,1H3,(H,24,26)