5-[[9,10-bis(oxidanylidene)anthracen-2-yl]methyl]-1-(4-methoxycarbonylphenyl)-3-(2-methylsulfanylethyl)-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-(4-methoxycarbonylphenyl)-3-(2-methylsulfanylethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-[(9,10-dioxo-2-anthryl)methyl]-1-(4-methoxycarbonylphenyl)-3-(2-methylsulfanylethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-[(9,10-dioxo-2-anthracenyl)methyl]-1-(4-methoxycarbonylphenyl)-3-[2-(methylthio)ethyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-[(9,10-dioxoanthracen-2-yl)methyl]-1-(4-methoxycarbonylphenyl)-3-(2-methylsulfanylethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(4-carbomethoxyphenyl)-5-[(9,10-diketo-2-anthryl)methyl]-4,6-diketo-3-[2-(methylthio)ethyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C33H28N2O8S MolecularWeight: 612.64902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)CC4=CC5=C(C=C4)C(=O)C6=CC=CC=C6C5=O)C(N2)(CCSC)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)CC4=CC5=C(C=C4)C(=O)C6=CC=CC=C6C5=O)C(N2)(CCSC)C(=O)O

InChI

InChI=1S/C33H28N2O8S/c1-43-31(40)19-10-8-18(9-11-19)26-24-25(33(34-26,32(41)42)13-14-44-2)30(39)35(29(24)38)16-17-7-12-22-23(15-17)28(37)21-6-4-3-5-20(21)27(22)36/h3-12,15,24-26,34H,13-14,16H2,1-2H3,(H,41,42)