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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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