2-(4-ethylphenyl)-4-pyridin-4-yl-4,5-dihydropyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione

Systemtic Name: 2-(4-ethylphenyl)-4-pyridin-4-yl-4,5-dihydropyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione Openeye Name: 2-(4-ethylphenyl)-4-(4-pyridyl)-4,5-dihydropyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione CAS Name: 2-(4-ethylphenyl)-4-pyridin-4-yl-4,5-dihydropyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione IUPAC Name: 2-(4-ethylphenyl)-4-pyridin-4-yl-4,5-dihydropyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione Traditional Name: 2-(4-ethylphenyl)-4-(4-pyridyl)-4,5-dihydropyrrolo[3,4-b][1,5]benzothiazepine-1,3-quinone Formula: C24H19N3O2S MolecularWeight: 413.49156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)SC4=CC=CC=C4NC3C5=CC=NC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)SC4=CC=CC=C4NC3C5=CC=NC=C5

InChI

InChI=1S/C24H19N3O2S/c1-2-15-7-9-17(10-8-15)27-23(28)20-21(16-11-13-25-14-12-16)26-18-5-3-4-6-19(18)30-22(20)24(27)29/h3-14,21,26H,2H2,1H3