2-[(7R)-7-methyl-5-oxidanylidene-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[(7R)-7-methyl-5-oxidanylidene-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[(7R)-7-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]thiazole-4-carboxylic acid CAS Name: 2-[(7R)-7-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-4-thiazolecarboxylic acid IUPAC Name: 2-[(7R)-7-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[(7R)-5-keto-7-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]thiazole-4-carboxylic acid Formula: C12H9N3O3S MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=N2)C3=NC(=CS3)C(=O)O)C(=O)N1

Isomeric SMILES

C[C@@H]1C2=C(C=CC(=N2)C3=NC(=CS3)C(=O)O)C(=O)N1

InChI

InChI=1S/C12H9N3O3S/c1-5-9-6(10(16)13-5)2-3-7(14-9)11-15-8(4-19-11)12(17)18/h2-5H,1H3,(H,13,16)(H,17,18)/t5-/m1/s1