1-(2-methoxyphenyl)-3-(2-methylsulfanylethyl)-4,6-bis(oxidanylidene)-5-(pyridin-2-ylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(2-methoxyphenyl)-3-(2-methylsulfanylethyl)-4,6-bis(oxidanylidene)-5-(pyridin-2-ylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(2-methoxyphenyl)-3-(2-methylsulfanylethyl)-4,6-dioxo-5-(2-pyridylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(2-methoxyphenyl)-3-[2-(methylthio)ethyl]-4,6-dioxo-5-(2-pyridinylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(2-methoxyphenyl)-3-(2-methylsulfanylethyl)-4,6-dioxo-5-(pyridin-2-ylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 4,6-diketo-1-(2-methoxyphenyl)-3-[2-(methylthio)ethyl]-5-(2-pyridylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C3C(C(=O)N(C3=O)CC4=CC=CC=N4)C(N2)(CCSC)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C2C3C(C(=O)N(C3=O)CC4=CC=CC=N4)C(N2)(CCSC)C(=O)O

InChI

InChI=1S/C23H25N3O5S/c1-31-16-9-4-3-8-15(16)19-17-18(23(25-19,22(29)30)10-12-32-2)21(28)26(20(17)27)13-14-7-5-6-11-24-14/h3-9,11,17-19,25H,10,12-13H2,1-2H3,(H,29,30)