diethyl 3-methyl-5-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[6-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H27N3O9S MolecularWeight: 545.56158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H27N3O9S/c1-4-36-24(32)18-14(3)20(25(33)37-5-2)38-21(18)26-17(29)12-7-6-8-13-27-22(30)15-10-9-11-16(28(34)35)19(15)23(27)31/h9-11H,4-8,12-13H2,1-3H3,(H,26,29)