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

Systemtic Name: 7-(carboxymethylperoxy)-5-[2-(methylamino)-3-oxidanylidene-3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)propanoyl]bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid Openeye Name: 7-(carboxymethylperoxy)-5-[2-(methylamino)-3-oxo-3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)propanoyl]bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid CAS Name: 7-(carboxymethyldioxy)-5-[2-(methylamino)-1,3-dioxo-3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)propyl]-7-bicyclo[4.1.0]hepta-1,3,5-trienecarboxylic acid IUPAC Name: 7-(carboxymethylperoxy)-5-[2-(methylamino)-3-oxo-3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)propanoyl]bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid Traditional Name: 7-(carboxymethylperoxy)-5-[3-keto-2-(methylamino)-3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)propanoyl]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:

CNC(C(=O)C1=C2C(=CC=C1)C2(C(=O)O)OOCC(=O)O)C(=O)C3=CC4=C(S3)CCNC4

Isomeric SMILES

CNC(C(=O)C1=C2C(=CC=C1)C2(C(=O)O)OOCC(=O)O)C(=O)C3=CC4=C(S3)CCNC4

InChI

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