3-(carboxymethyl)-1-(2-methylphenyl)-5-(3-methylsulfanylpropyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-(carboxymethyl)-1-(2-methylphenyl)-5-(3-methylsulfanylpropyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(carboxymethyl)-5-(3-methylsulfanylpropyl)-1-(o-tolyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(carboxymethyl)-1-(2-methylphenyl)-5-[3-(methylthio)propyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(carboxymethyl)-1-(2-methylphenyl)-5-(3-methylsulfanylpropyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(carboxymethyl)-4,6-diketo-5-[3-(methylthio)propyl]-1-(o-tolyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3C(C(=O)N(C3=O)CCCSC)C(N2)(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2C3C(C(=O)N(C3=O)CCCSC)C(N2)(CC(=O)O)C(=O)O

InChI

InChI=1S/C20H24N2O6S/c1-11-6-3-4-7-12(11)16-14-15(20(21-16,19(27)28)10-13(23)24)18(26)22(17(14)25)8-5-9-29-2/h3-4,6-7,14-16,21H,5,8-10H2,1-2H3,(H,23,24)(H,27,28)