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

Systemtic Name: 7-(carboxymethylperoxy)-5-[2-[(3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)carbonylamino]ethanoyl]bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid Openeye Name: 7-(carboxymethylperoxy)-5-[2-[(3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)amino]acetyl]bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid CAS Name: 7-(carboxymethyldioxy)-5-[2-[[(3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-oxomethyl]amino]-1-oxoethyl]-7-bicyclo[4.1.0]hepta-1,3,5-trienecarboxylic acid IUPAC Name: 7-(carboxymethylperoxy)-5-[2-[(3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)amino]acetyl]bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid Traditional Name: 7-(carboxymethylperoxy)-5-[2-[(3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)amino]acetyl]bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid Formula: C21H20N2O8S MolecularWeight: 460.4571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1CNCC2)C(=O)NCC(=O)C3=C4C(=CC=C3)C4(C(=O)O)OOCC(=O)O

Isomeric SMILES

CC1=C(SC2=C1CNCC2)C(=O)NCC(=O)C3=C4C(=CC=C3)C4(C(=O)O)OOCC(=O)O

InChI

InChI=1S/C21H20N2O8S/c1-10-12-7-22-6-5-15(12)32-18(10)19(27)23-8-14(24)11-3-2-4-13-17(11)21(13,20(28)29)31-30-9-16(25)26/h2-4,22H,5-9H2,1H3,(H,23,27)(H,25,26)(H,28,29)