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

Systemtic Name: N-(2-methylphenyl)-3-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide Openeye Name: N-(o-tolyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide CAS Name: N-(2-methylphenyl)-3-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)propanamide IUPAC Name: N-(2-methylphenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide Traditional Name: 3-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)-N-(o-tolyl)propionamide Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C22H19N3O2S/c1-15-7-2-4-9-17(15)24-20(26)12-14-25-18-10-6-13-23-21(18)28-19-11-5-3-8-16(19)22(25)27/h2-11,13H,12,14H2,1H3,(H,24,26)