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

Systemtic Name: (5R,5aR,8aS)-5-(4-chlorophenyl)-2-methyl-7-phenyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione Openeye Name: (5R,5aR,8aS)-5-(4-chlorophenyl)-2-methyl-7-phenyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione CAS Name: (5R,5aR,8aS)-5-(4-chlorophenyl)-2-methyl-7-phenyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione IUPAC Name: (5R,5aR,8aS)-5-(4-chlorophenyl)-2-methyl-7-phenyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione Traditional Name: (5R,5aR,8aS)-5-(4-chlorophenyl)-2-methyl-7-phenyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-quinone Formula: C22H17ClN2O2S MolecularWeight: 408.90058

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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)C5=CC=CC=C5

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)C5=CC=CC=C5

InChI

InChI=1S/C22H17ClN2O2S/c1-12-24-17-11-16(13-7-9-14(23)10-8-13)18-19(20(17)28-12)22(27)25(21(18)26)15-5-3-2-4-6-15/h2-10,16,18-19H,11H2,1H3/t16-,18+,19+/m0/s1