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

Systemtic Name: (5R,5aR,8aS)-5-(4-methylphenyl)-2,7-diphenyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione Openeye Name: (5R,5aR,8aS)-2,7-diphenyl-5-(p-tolyl)-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione CAS Name: (5R,5aR,8aS)-5-(4-methylphenyl)-2,7-diphenyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione IUPAC Name: (5R,5aR,8aS)-5-(4-methylphenyl)-2,7-diphenyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione Traditional Name: (5R,5aR,8aS)-2,7-diphenyl-5-(p-tolyl)-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-quinone Formula: C28H22N2O2S MolecularWeight: 450.55148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC3=C(C4C2C(=O)N(C4=O)C5=CC=CC=C5)SC(=N3)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2CC3=C([C@H]4[C@@H]2C(=O)N(C4=O)C5=CC=CC=C5)SC(=N3)C6=CC=CC=C6

InChI

InChI=1S/C28H22N2O2S/c1-17-12-14-18(15-13-17)21-16-22-25(33-26(29-22)19-8-4-2-5-9-19)24-23(21)27(31)30(28(24)32)20-10-6-3-7-11-20/h2-15,21,23-24H,16H2,1H3/t21-,23+,24+/m0/s1