1-(5-bromanylthiophen-2-yl)-3-(1H-indol-3-ylmethyl)-5-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-3-(1H-indol-3-ylmethyl)-5-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(5-bromo-2-thienyl)-3-(1H-indol-3-ylmethyl)-5-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(5-bromo-2-thiophenyl)-3-(1H-indol-3-ylmethyl)-5-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(5-bromothiophen-2-yl)-3-(1H-indol-3-ylmethyl)-5-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(5-bromo-2-thienyl)-3-(1H-indol-3-ylmethyl)-4,6-diketo-5-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C26H23BrN6O6S MolecularWeight: 627.46642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCN2C(=O)C3C(C2=O)C(NC3C4=CC=C(S4)Br)(CC5=CNC6=CC=CC=C65)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCN2C(=O)C3C(C2=O)C(NC3C4=CC=C(S4)Br)(CC5=CNC6=CC=CC=C65)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C26H23BrN6O6S/c1-13-28-12-19(33(38)39)31(13)8-9-32-23(34)20-21(24(32)35)26(25(36)37,30-22(20)17-6-7-18(27)40-17)10-14-11-29-16-5-3-2-4-15(14)16/h2-7,11-12,20-22,29-30H,8-10H2,1H3,(H,36,37)