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

Systemtic Name: N-(4-methoxyphenyl)-2-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)ethanamide Openeye Name: N-(4-methoxyphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide CAS Name: N-(4-methoxyphenyl)-2-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)acetamide IUPAC Name: N-(4-methoxyphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide Traditional Name: 2-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)-N-(4-methoxyphenyl)acetamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C21H17N3O3S/c1-27-15-10-8-14(9-11-15)23-19(25)13-24-17-6-4-12-22-20(17)28-18-7-3-2-5-16(18)21(24)26/h2-12H,13H2,1H3,(H,23,25)