N-(5-methyl-1,2-oxazol-3-yl)-6-pyridin-2-yl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-6-pyridin-2-yl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(5-methylisoxazol-3-yl)-6-(2-pyridyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(5-methyl-3-isoxazolyl)-6-(2-pyridinyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-6-pyridin-2-ylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(5-methylisoxazol-3-yl)-6-(2-pyridyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H16N4O2S MolecularWeight: 412.46374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)C5=CC=CC=N5

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)C5=CC=CC=N5

InChI

InChI=1S/C23H16N4O2S/c1-14-12-21(27-29-14)26-23(28)15-9-10-20-18(13-15)25-22(17-7-4-5-11-24-17)16-6-2-3-8-19(16)30-20/h2-13H,1H3,(H,26,27,28)