(4S,5R,5aR,8aS)-4-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]-5-(4-methylphenyl)-2,7-diphenyl-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]-5-(4-methylphenyl)-2,7-diphenyl-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)-2,7-diphenyl-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)-5-(4-methylphenyl)-2,7-diphenyl-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)-5-(4-methylphenyl)-2,7-diphenyl-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)-2,7-diphenyl-5-(p-tolyl)-4,5,5a,8a-tetrahydropyrrolo[3,4-g][1,3]benzothiazole-6,8-quinone Formula: C38H29N3O4S MolecularWeight: 623.71956

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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)C6=CC=CC=C6)C7CC(=O)N(C7=O)C8=CC=CC=C8

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)C7=CC=CC=C7)C(=O)N(C3=O)C8=CC=CC=C8

InChI

InChI=1S/C38H29N3O4S/c1-22-17-19-23(20-18-22)29-30(27-21-28(42)40(36(27)43)25-13-7-3-8-14-25)33-34(46-35(39-33)24-11-5-2-6-12-24)32-31(29)37(44)41(38(32)45)26-15-9-4-10-16-26/h2-20,27,29-32H,21H2,1H3/t27?,29-,30-,31-,32-/m1/s1