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

Systemtic Name: 2-(4-ethylphenyl)-4-phenyl-4,5-dihydropyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione Openeye Name: 2-(4-ethylphenyl)-4-phenyl-4,5-dihydropyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione CAS Name: 2-(4-ethylphenyl)-4-phenyl-4,5-dihydropyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione IUPAC Name: 2-(4-ethylphenyl)-4-phenyl-4,5-dihydropyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione Traditional Name: 2-(4-ethylphenyl)-4-phenyl-4,5-dihydropyrrolo[3,4-b][1,5]benzothiazepine-1,3-quinone Formula: C25H20N2O2S MolecularWeight: 412.5035

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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=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O2S/c1-2-16-12-14-18(15-13-16)27-24(28)21-22(17-8-4-3-5-9-17)26-19-10-6-7-11-20(19)30-23(21)25(27)29/h3-15,22,26H,2H2,1H3