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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

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