sodium 2-[2-(carboxymethyloxy)-4-[2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylcarbonylamino)ethanoyl]phenoxy]ethanoic acid

Systemtic Name: sodium 2-[2-(carboxymethyloxy)-4-[2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylcarbonylamino)ethanoyl]phenoxy]ethanoic acid Openeye Name: sodium 2-[2-(carboxymethyloxy)-4-[2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)acetyl]phenoxy]acetic acid CAS Name: sodium 2-[2-(carboxymethyloxy)-4-[1-oxo-2-[[oxo(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)methyl]amino]ethyl]phenoxy]acetic acid IUPAC Name: sodium 2-[2-(carboxymethyloxy)-4-[2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)acetyl]phenoxy]acetic acid Traditional Name: sodium 2-[2-(carboxymethyloxy)-4-[2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)acetyl]phenoxy]acetic acid Formula: C20H20N2NaO8S+ MolecularWeight: 471.43617

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1SC(=C2)C(=O)NCC(=O)C3=CC(=C(C=C3)OCC(=O)O)OCC(=O)O.[Na+]

Isomeric SMILES

C1CNCC2=C1SC(=C2)C(=O)NCC(=O)C3=CC(=C(C=C3)OCC(=O)O)OCC(=O)O.[Na+]

InChI

InChI=1S/C20H20N2O8S.Na/c23-13(8-22-20(28)17-6-12-7-21-4-3-16(12)31-17)11-1-2-14(29-9-18(24)25)15(5-11)30-10-19(26)27;/h1-2,5-6,21H,3-4,7-10H2,(H,22,28)(H,24,25)(H,26,27);/q;+1