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

Systemtic Name: N-(3-methoxyphenyl)-3-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide Openeye Name: N-(3-methoxyphenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide CAS Name: N-(3-methoxyphenyl)-3-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)propanamide IUPAC Name: N-(3-methoxyphenyl)-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-(3-methoxyphenyl)propionamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C22H19N3O3S/c1-28-16-7-4-6-15(14-16)24-20(26)11-13-25-18-9-5-12-23-21(18)29-19-10-3-2-8-17(19)22(25)27/h2-10,12,14H,11,13H2,1H3,(H,24,26)