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

Systemtic Name: 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-(carboxycarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Openeye Name: 5-[(1,3-dioxoisoindolin-2-yl)methyl]-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid CAS Name: 5-[(1,3-dioxo-2-isoindolyl)methyl]-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid IUPAC Name: 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Traditional Name: 2-(oxaloamino)-5-(phthalimidomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Formula: C19H14N2O8S MolecularWeight: 430.38806

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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=CC=CC=C4C3=O

Isomeric SMILES

C1C(OCC2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H14N2O8S/c22-14(19(27)28)20-15-13(18(25)26)11-5-8(29-7-12(11)30-15)6-21-16(23)9-3-1-2-4-10(9)17(21)24/h1-4,8H,5-7H2,(H,20,22)(H,25,26)(H,27,28)