5-[[1,3-bis(oxidanylidene)-4-phenylmethoxy-isoindol-2-yl]methyl]-2-(carboxycarbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid

Systemtic Name: 5-[[1,3-bis(oxidanylidene)-4-phenylmethoxy-isoindol-2-yl]methyl]-2-(carboxycarbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid Openeye Name: 5-[(4-benzyloxy-1,3-dioxo-isoindolin-2-yl)methyl]-2-(oxaloamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid CAS Name: 5-[(1,3-dioxo-4-phenylmethoxy-2-isoindolyl)methyl]-2-(oxaloamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid IUPAC Name: 5-[(1,3-dioxo-4-phenylmethoxyisoindol-2-yl)methyl]-2-(oxaloamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid Traditional Name: 5-[(4-benzoxy-1,3-diketo-isoindolin-2-yl)methyl]-2-(oxaloamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid Formula: C26H21N3O8S MolecularWeight: 535.52524

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O)CN3C(=O)C4=C(C3=O)C(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1C(NCC2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O)CN3C(=O)C4=C(C3=O)C(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H21N3O8S/c30-21(26(35)36)28-22-20(25(33)34)16-9-14(27-10-18(16)38-22)11-29-23(31)15-7-4-8-17(19(15)24(29)32)37-12-13-5-2-1-3-6-13/h1-8,14,27H,9-12H2,(H,28,30)(H,33,34)(H,35,36)