N-(2-methoxy-5-methyl-phenyl)-4-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-4-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide CAS Name: N-(2-methoxy-5-methylphenyl)-4-(5-oxo-6-pyrido[2,3-b][1,5]benzothiazepinyl)butanamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide Traditional Name: 4-(5-ketopyrido[2,3-b][1,5]benzothiazepin-6-yl)-N-(2-methoxy-5-methyl-phenyl)butyramide Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

InChI

InChI=1S/C24H23N3O3S/c1-16-11-12-20(30-2)18(15-16)26-22(28)10-6-14-27-19-8-3-4-9-21(19)31-23-17(24(27)29)7-5-13-25-23/h3-5,7-9,11-13,15H,6,10,14H2,1-2H3,(H,26,28)