2-(carboxycarbonylamino)-7-ethoxycarbonyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid

Systemtic Name: 2-(carboxycarbonylamino)-7-ethoxycarbonyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Openeye Name: 7-ethoxycarbonyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid CAS Name: 7-ethoxycarbonyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid IUPAC Name: 7-ethoxycarbonyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Traditional Name: 7-carbethoxy-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Formula: C13H13NO8S MolecularWeight: 343.30922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2=C(CCO1)C(=C(S2)NC(=O)C(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)C1C2=C(CCO1)C(=C(S2)NC(=O)C(=O)O)C(=O)O

InChI

InChI=1S/C13H13NO8S/c1-2-21-13(20)7-8-5(3-4-22-7)6(11(16)17)10(23-8)14-9(15)12(18)19/h7H,2-4H2,1H3,(H,14,15)(H,16,17)(H,18,19)