4-[6-(carboxymethylcarbamoyl)-4-methyl-5-oxidanyl-7-oxidanylidene-thieno[3,2-b]pyridin-2-yl]benzoic acid

Systemtic Name: 4-[6-(carboxymethylcarbamoyl)-4-methyl-5-oxidanyl-7-oxidanylidene-thieno[3,2-b]pyridin-2-yl]benzoic acid Openeye Name: 4-[6-(carboxymethylcarbamoyl)-5-hydroxy-4-methyl-7-oxo-thieno[3,2-b]pyridin-2-yl]benzoic acid CAS Name: 4-[6-[(carboxymethylamino)-oxomethyl]-5-hydroxy-4-methyl-7-oxo-2-thieno[3,2-b]pyridinyl]benzoic acid IUPAC Name: 4-[6-(carboxymethylcarbamoyl)-5-hydroxy-4-methyl-7-oxothieno[3,2-b]pyridin-2-yl]benzoic acid Traditional Name: 4-[6-(carboxymethylcarbamoyl)-5-hydroxy-7-keto-4-methyl-thieno[3,2-b]pyridin-2-yl]benzoic acid Formula: C18H14N2O7S MolecularWeight: 402.37796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)C(=C1O)C(=O)NCC(=O)O)SC(=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN1C2=C(C(=O)C(=C1O)C(=O)NCC(=O)O)SC(=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H14N2O7S/c1-20-10-6-11(8-2-4-9(5-3-8)18(26)27)28-15(10)14(23)13(17(20)25)16(24)19-7-12(21)22/h2-6,25H,7H2,1H3,(H,19,24)(H,21,22)(H,26,27)