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

Systemtic Name: N-(3-methylsulfanylphenyl)-2-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)ethanamide Openeye Name: N-(3-methylsulfanylphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)acetamide CAS Name: N-[3-(methylthio)phenyl]-2-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)acetamide IUPAC Name: N-(3-methylsulfanylphenyl)-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-[3-(methylthio)phenyl]acetamide Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C21H17N3O2S2/c1-27-15-7-4-6-14(12-15)23-19(25)13-24-17-9-5-11-22-20(17)28-18-10-3-2-8-16(18)21(24)26/h2-12H,13H2,1H3,(H,23,25)