(1R,3R,3aR,6aS)-5-tert-butyl-7'-chloranyl-1-(2-methylsulfanylethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-2',4,6-trione

Systemtic Name: (1R,3R,3aR,6aS)-5-tert-butyl-7'-chloranyl-1-(2-methylsulfanylethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-2',4,6-trione Openeye Name: (1R,3R,3aR,6aS)-5-tert-butyl-7'-chloro-1-(2-methylsulfanylethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-indoline]-2',4,6-trione CAS Name: (1R,3R,3aR,6aS)-5-tert-butyl-7'-chloro-1-[2-(methylthio)ethyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-2',4,6-trione IUPAC Name: (1R,3R,3aR,6aS)-5-tert-butyl-7'-chloro-1-(2-methylsulfanylethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-2',4,6-trione Traditional Name: (1R,3R,3aR,6aS)-5-tert-butyl-7'-chloro-1-[2-(methylthio)ethyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-indoline]-2',4,6-trione Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2C([NH2+]C3(C2C1=O)C4=C(C(=CC=C4)Cl)NC3=O)CCSC

Isomeric SMILES

CC(C)(C)N1C(=O)[C@@H]2[C@H]([NH2+][C@]3([C@@H]2C1=O)C4=C(C(=CC=C4)Cl)NC3=O)CCSC

InChI

InChI=1S/C20H24ClN3O3S/c1-19(2,3)24-16(25)13-12(8-9-28-4)23-20(14(13)17(24)26)10-6-5-7-11(21)15(10)22-18(20)27/h5-7,12-14,23H,8-9H2,1-4H3,(H,22,27)/p+1/t12-,13-,14+,20+/m1/s1