7-(carboxymethylperoxy)-5-[2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylcarbonylamino)ethanoyl]bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid

Systemtic Name: 7-(carboxymethylperoxy)-5-[2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylcarbonylamino)ethanoyl]bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid Openeye Name: 7-(carboxymethylperoxy)-5-[2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)acetyl]bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid CAS Name: 7-(carboxymethyldioxy)-5-[1-oxo-2-[[oxo(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)methyl]amino]ethyl]-7-bicyclo[4.1.0]hepta-1,3,5-trienecarboxylic acid IUPAC Name: 7-(carboxymethylperoxy)-5-[2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)acetyl]bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid Traditional Name: 7-(carboxymethylperoxy)-5-[2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)acetyl]bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid Formula: C20H18N2O8S MolecularWeight: 446.43052

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1SC(=C2)C(=O)NCC(=O)C3=C4C(=CC=C3)C4(C(=O)O)OOCC(=O)O

Isomeric SMILES

C1CNCC2=C1SC(=C2)C(=O)NCC(=O)C3=C4C(=CC=C3)C4(C(=O)O)OOCC(=O)O

InChI

InChI=1S/C20H18N2O8S/c23-13(8-22-18(26)15-6-10-7-21-5-4-14(10)31-15)11-2-1-3-12-17(11)20(12,19(27)28)30-29-9-16(24)25/h1-3,6,21H,4-5,7-9H2,(H,22,26)(H,24,25)(H,27,28)