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

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O)C

InChI

InChI=1S/C23H21N3O2S/c1-3-16-9-6-8-15(2)21(16)25-20(27)14-26-18-11-7-13-24-22(18)29-19-12-5-4-10-17(19)23(26)28/h4-13H,3,14H2,1-2H3,(H,25,27)