(5R,5aR,8aS,8bR)-5-(4-methoxyphenyl)-2,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione

Systemtic Name: (5R,5aR,8aS,8bR)-5-(4-methoxyphenyl)-2,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione Openeye Name: (5R,5aR,8aS,8bR)-5-(4-methoxyphenyl)-2,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione CAS Name: (5R,5aR,8aS,8bR)-5-(4-methoxyphenyl)-2,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione IUPAC Name: (5R,5aR,8aS,8bR)-5-(4-methoxyphenyl)-2,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione Traditional Name: (5R,5aR,8aS,8bR)-5-(4-methoxyphenyl)-2,7-diphenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-quinone Formula: C28H22N2O3S MolecularWeight: 466.55088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C=C3C(C4C2C(=O)N(C4=O)C5=CC=CC=C5)SC(=N3)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2C=C3[C@@H]([C@H]4[C@@H]2C(=O)N(C4=O)C5=CC=CC=C5)SC(=N3)C6=CC=CC=C6

InChI

InChI=1S/C28H22N2O3S/c1-33-20-14-12-17(13-15-20)21-16-22-25(34-26(29-22)18-8-4-2-5-9-18)24-23(21)27(31)30(28(24)32)19-10-6-3-7-11-19/h2-16,21,23-25H,1H3/t21-,23+,24+,25-/m0/s1