2-(4-chlorophenyl)-N-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)ethanamide

Systemtic Name: 2-(4-chlorophenyl)-N-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)ethanamide Openeye Name: 2-(4-chlorophenyl)-N-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)acetamide CAS Name: 2-(4-chlorophenyl)-N-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)acetamide IUPAC Name: 2-(4-chlorophenyl)-N-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)acetamide Traditional Name: 2-(4-chlorophenyl)-N-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)acetamide Formula: C22H17ClN2O2S MolecularWeight: 408.90058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)NC(=O)CC3=CC=C(C=C3)Cl)SC4=CC=CC=C4C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)NC(=O)CC3=CC=C(C=C3)Cl)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C22H17ClN2O2S/c1-25-18-13-16(24-21(26)12-14-6-8-15(23)9-7-14)10-11-20(18)28-19-5-3-2-4-17(19)22(25)27/h2-11,13H,12H2,1H3,(H,24,26)