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

Systemtic Name: N-(4-acetamidophenyl)-2-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)ethanamide Openeye Name: N-(4-acetamidophenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide CAS Name: N-(4-acetamidophenyl)-2-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)acetamide IUPAC Name: N-(4-acetamidophenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide Traditional Name: N-(4-acetamidophenyl)-2-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C22H18N4O3S/c1-14(27)24-15-8-10-16(11-9-15)25-20(28)13-26-18-6-4-12-23-21(18)30-19-7-3-2-5-17(19)22(26)29/h2-12H,13H2,1H3,(H,24,27)(H,25,28)