5-(4-ethanoylphenyl)-3-methyl-4,6-bis(oxidanylidene)-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 5-(4-ethanoylphenyl)-3-methyl-4,6-bis(oxidanylidene)-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(4-acetylphenyl)-3-methyl-4,6-dioxo-1-(2-thienyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(4-acetylphenyl)-3-methyl-4,6-dioxo-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(4-acetylphenyl)-3-methyl-4,6-dioxo-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(4-acetylphenyl)-4,6-diketo-3-methyl-1-(2-thienyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC=CS4)(C)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC=CS4)(C)C(=O)O

InChI

InChI=1S/C20H18N2O5S/c1-10(23)11-5-7-12(8-6-11)22-17(24)14-15(18(22)25)20(2,19(26)27)21-16(14)13-4-3-9-28-13/h3-9,14-16,21H,1-2H3,(H,26,27)