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

Systemtic Name: (5R,5aS,8aR)-5-(4-chlorophenyl)-2,7-dimethyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione Openeye Name: (5R,5aS,8aR)-5-(4-chlorophenyl)-2,7-dimethyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione CAS Name: (5R,5aS,8aR)-5-(4-chlorophenyl)-2,7-dimethyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione IUPAC Name: (5R,5aS,8aR)-5-(4-chlorophenyl)-2,7-dimethyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione Traditional Name: (5R,5aS,8aR)-5-(4-chlorophenyl)-2,7-dimethyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-quinone Formula: C17H15ClN2O2S MolecularWeight: 346.8312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C3C(C(C2)C4=CC=C(C=C4)Cl)C(=O)N(C3=O)C

Isomeric SMILES

CC1=NC2=C(S1)[C@@H]3[C@H]([C@@H](C2)C4=CC=C(C=C4)Cl)C(=O)N(C3=O)C

InChI

InChI=1S/C17H15ClN2O2S/c1-8-19-12-7-11(9-3-5-10(18)6-4-9)13-14(15(12)23-8)17(22)20(2)16(13)21/h3-6,11,13-14H,7H2,1-2H3/t11-,13-,14-/m0/s1