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

Systemtic Name: 5-(benzamidomethyl)-2-(carboxycarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Openeye Name: 5-(benzamidomethyl)-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid CAS Name: 5-(benzamidomethyl)-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid IUPAC Name: 5-(benzamidomethyl)-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Traditional Name: 5-(benzamidomethyl)-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Formula: C18H16N2O7S MolecularWeight: 404.39384

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C(OCC2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H16N2O7S/c21-14(9-4-2-1-3-5-9)19-7-10-6-11-12(8-27-10)28-16(13(11)17(23)24)20-15(22)18(25)26/h1-5,10H,6-8H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26)