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

Systemtic Name: 7-(acetamidomethyl)-2-(carboxycarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Openeye Name: 7-(acetamidomethyl)-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid CAS Name: 7-(acetamidomethyl)-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid IUPAC Name: 7-(acetamidomethyl)-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Traditional Name: 7-(acetamidomethyl)-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Formula: C13H14N2O7S MolecularWeight: 342.32446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1C2=C(CCO1)C(=C(S2)NC(=O)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NCC1C2=C(CCO1)C(=C(S2)NC(=O)C(=O)O)C(=O)O

InChI

InChI=1S/C13H14N2O7S/c1-5(16)14-4-7-9-6(2-3-22-7)8(12(18)19)11(23-9)15-10(17)13(20)21/h7H,2-4H2,1H3,(H,14,16)(H,15,17)(H,18,19)(H,20,21)