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

Systemtic Name: 2-(2-methoxyphenyl)-4-thiophen-2-yl-4,5-dihydropyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione Openeye Name: 2-(2-methoxyphenyl)-4-(2-thienyl)-4,5-dihydropyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione CAS Name: 2-(2-methoxyphenyl)-4-thiophen-2-yl-4,5-dihydropyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione IUPAC Name: 2-(2-methoxyphenyl)-4-thiophen-2-yl-4,5-dihydropyrrolo[3,4-b][1,5]benzothiazepine-1,3-dione Traditional Name: 2-(2-methoxyphenyl)-4-(2-thienyl)-4,5-dihydropyrrolo[3,4-b][1,5]benzothiazepine-1,3-quinone Formula: C22H16N2O3S2 MolecularWeight: 420.50404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=C(C2=O)SC4=CC=CC=C4NC3C5=CC=CS5

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=C(C2=O)SC4=CC=CC=C4NC3C5=CC=CS5

InChI

InChI=1S/C22H16N2O3S2/c1-27-15-9-4-3-8-14(15)24-21(25)18-19(17-11-6-12-28-17)23-13-7-2-5-10-16(13)29-20(18)22(24)26/h2-12,19,23H,1H3