5-[[1,3-bis(oxidanylidene)pyrrolo[3,4-c]pyridin-2-yl]methyl]-2-(carboxycarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid

Systemtic Name: 5-[[1,3-bis(oxidanylidene)pyrrolo[3,4-c]pyridin-2-yl]methyl]-2-(carboxycarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Openeye Name: 5-[(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)methyl]-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid CAS Name: 5-[(1,3-dioxo-2-pyrrolo[3,4-c]pyridinyl)methyl]-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid IUPAC Name: 5-[(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)methyl]-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Traditional Name: 5-[(1,3-diketopyrrolo[3,4-c]pyridin-2-yl)methyl]-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Formula: C18H13N3O8S MolecularWeight: 431.37612

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O)CN3C(=O)C4=C(C3=O)C=NC=C4

Isomeric SMILES

C1C(OCC2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O)CN3C(=O)C4=C(C3=O)C=NC=C4

InChI

InChI=1S/C18H13N3O8S/c22-13(18(27)28)20-14-12(17(25)26)9-3-7(29-6-11(9)30-14)5-21-15(23)8-1-2-19-4-10(8)16(21)24/h1-2,4,7H,3,5-6H2,(H,20,22)(H,25,26)(H,27,28)