(4S,5R,5aR,8aS)-4-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]-2-methyl-5-(4-methylphenyl)-7-phenyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione

Systemtic Name: (4S,5R,5aR,8aS)-4-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]-2-methyl-5-(4-methylphenyl)-7-phenyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione Openeye Name: (4S,5R,5aR,8aS)-4-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)-2-methyl-7-phenyl-5-(p-tolyl)-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione CAS Name: (4S,5R,5aR,8aS)-4-(2,5-dioxo-1-phenyl-3-pyrrolidinyl)-2-methyl-5-(4-methylphenyl)-7-phenyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione IUPAC Name: (4S,5R,5aR,8aS)-4-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-methyl-5-(4-methylphenyl)-7-phenyl-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-dione Traditional Name: (4S,5R,5aR,8aS)-4-(2,5-diketo-1-phenyl-pyrrolidin-3-yl)-2-methyl-7-phenyl-5-(p-tolyl)-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-quinone Formula: C33H27N3O4S MolecularWeight: 561.65018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C3=C(C4C2C(=O)N(C4=O)C5=CC=CC=C5)SC(=N3)C)C6CC(=O)N(C6=O)C7=CC=CC=C7

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2[C@@H]3[C@H](C4=C([C@@H]2C5CC(=O)N(C5=O)C6=CC=CC=C6)N=C(S4)C)C(=O)N(C3=O)C7=CC=CC=C7

InChI

InChI=1S/C33H27N3O4S/c1-18-13-15-20(16-14-18)25-26(23-17-24(37)35(31(23)38)21-9-5-3-6-10-21)29-30(41-19(2)34-29)28-27(25)32(39)36(33(28)40)22-11-7-4-8-12-22/h3-16,23,25-28H,17H2,1-2H3/t23?,25-,26-,27-,28-/m1/s1