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

Systemtic Name: N-(4-methoxyphenyl)-4-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide Openeye Name: N-(4-methoxyphenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanamide CAS Name: N-(4-methoxyphenyl)-4-(5-oxo-6-pyrido[2,3-b][1,5]benzothiazepinyl)butanamide IUPAC Name: N-(4-methoxyphenyl)-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-(4-methoxyphenyl)butyramide Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CCCN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

InChI

InChI=1S/C23H21N3O3S/c1-29-17-12-10-16(11-13-17)25-21(27)9-5-15-26-19-7-2-3-8-20(19)30-22-18(23(26)28)6-4-14-24-22/h2-4,6-8,10-14H,5,9,15H2,1H3,(H,25,27)