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

Systemtic Name: (5R,5aS,8aR)-2,7-dimethyl-5-(4-methylphenyl)-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione Openeye Name: (5R,5aS,8aR)-2,7-dimethyl-5-(p-tolyl)-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione CAS Name: (5R,5aS,8aR)-2,7-dimethyl-5-(4-methylphenyl)-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione IUPAC Name: (5R,5aS,8aR)-2,7-dimethyl-5-(4-methylphenyl)-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione Traditional Name: (5R,5aS,8aR)-2,7-dimethyl-5-(p-tolyl)-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-quinone Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O2S/c1-9-4-6-11(7-5-9)12-8-13-16(23-10(2)19-13)15-14(12)17(21)20(3)18(15)22/h4-7,12,14-15H,8H2,1-3H3/t12-,14-,15-/m0/s1