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

Systemtic Name: N-(3-ethylphenyl)-3-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide Openeye Name: N-(3-ethylphenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide CAS Name: N-(3-ethylphenyl)-3-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)propanamide IUPAC Name: N-(3-ethylphenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide Traditional Name: N-(3-ethylphenyl)-3-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)propionamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)CCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)CCN2C3=C(N=CC=C3)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C23H21N3O2S/c1-2-16-7-5-8-17(15-16)25-21(27)12-14-26-19-10-6-13-24-22(19)29-20-11-4-3-9-18(20)23(26)28/h3-11,13,15H,2,12,14H2,1H3,(H,25,27)