tert-butyl 2-[3-[3-(dioxidanyl)cyclohexa-1,5-dien-1-yl]-2-(methylamino)-3-oxidanylidene-propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate

Systemtic Name: tert-butyl 2-[3-[3-(dioxidanyl)cyclohexa-1,5-dien-1-yl]-2-(methylamino)-3-oxidanylidene-propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate Openeye Name: tert-butyl 2-[3-(3-hydroperoxycyclohexa-1,5-dien-1-yl)-2-(methylamino)-3-oxo-propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate CAS Name: 2-[3-(3-hydroperoxy-1-cyclohexa-1,5-dienyl)-2-(methylamino)-1,3-dioxopropyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(3-hydroperoxycyclohexa-1,5-dien-1-yl)-2-(methylamino)-3-oxopropanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate Traditional Name: 2-[3-(3-hydroperoxycyclohexa-1,5-dien-1-yl)-3-keto-2-(methylamino)propanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylic acid tert-butyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(S2)C(=O)C(C(=O)C3=CC(CC=C3)OO)NC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(S2)C(=O)C(C(=O)C3=CC(CC=C3)OO)NC

InChI

InChI=1S/C22H28N2O6S/c1-22(2,3)29-21(27)24-9-8-16-14(12-24)11-17(31-16)20(26)18(23-4)19(25)13-6-5-7-15(10-13)30-28/h5-6,10-11,15,18,23,28H,7-9,12H2,1-4H3