5-[[9,10-bis(oxidanylidene)anthracen-2-yl]methyl]-1-(5-bromanylthiophen-2-yl)-3-(1H-indol-3-ylmethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 5-[[9,10-bis(oxidanylidene)anthracen-2-yl]methyl]-1-(5-bromanylthiophen-2-yl)-3-(1H-indol-3-ylmethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(5-bromo-2-thienyl)-5-[(9,10-dioxo-2-anthryl)methyl]-3-(1H-indol-3-ylmethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(5-bromo-2-thiophenyl)-5-[(9,10-dioxo-2-anthracenyl)methyl]-3-(1H-indol-3-ylmethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(5-bromothiophen-2-yl)-5-[(9,10-dioxoanthracen-2-yl)methyl]-3-(1H-indol-3-ylmethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(5-bromo-2-thienyl)-5-[(9,10-diketo-2-anthryl)methyl]-3-(1H-indol-3-ylmethyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C35H24BrN3O6S MolecularWeight: 694.55056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)CN4C(=O)C5C(C4=O)C(NC5C6=CC=C(S6)Br)(CC7=CNC8=CC=CC=C87)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)CN4C(=O)C5C(C4=O)C(NC5C6=CC=C(S6)Br)(CC7=CNC8=CC=CC=C87)C(=O)O

InChI

InChI=1S/C35H24BrN3O6S/c36-26-12-11-25(46-26)29-27-28(35(38-29,34(44)45)14-18-15-37-24-8-4-3-5-19(18)24)33(43)39(32(27)42)16-17-9-10-22-23(13-17)31(41)21-7-2-1-6-20(21)30(22)40/h1-13,15,27-29,37-38H,14,16H2,(H,44,45)