N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-3-fluoranyl-4-methyl-benzamide

Systemtic Name: N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-3-fluoranyl-4-methyl-benzamide Openeye Name: N-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)-3-fluoro-4-methyl-benzamide CAS Name: N-(5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-3-fluoro-4-methylbenzamide IUPAC Name: N-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3-fluoro-4-methylbenzamide Traditional Name: N-(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)-3-fluoro-4-methyl-benzamide Formula: C23H19FN2O2S MolecularWeight: 406.472563

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)C3=CC(=C(C=C3)C)F)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)C3=CC(=C(C=C3)C)F)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C23H19FN2O2S/c1-3-26-19-13-16(25-22(27)15-9-8-14(2)18(24)12-15)10-11-21(19)29-20-7-5-4-6-17(20)23(26)28/h4-13H,3H2,1-2H3,(H,25,27)