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

Systemtic Name: diethyl 5-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-(1,3-dioxoisoindolin-2-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(3-phthalimidopropanoylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H22N2O7S/c1-4-30-21(28)16-12(3)17(22(29)31-5-2)32-18(16)23-15(25)10-11-24-19(26)13-8-6-7-9-14(13)20(24)27/h6-9H,4-5,10-11H2,1-3H3,(H,23,25)