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

Systemtic Name: diethyl 5-[2-[2-butan-2-yl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonyloxyethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(1,3-dioxo-2-sec-butyl-isoindoline-5-carbonyl)oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(2-butan-2-yl-1,3-dioxo-5-isoindolyl)-oxomethoxy]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(2-butan-2-yl-1,3-dioxoisoindole-5-carbonyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(1,3-diketo-2-sec-butyl-isoindoline-5-carbonyl)oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H28N2O9S MolecularWeight: 544.57352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C26H28N2O9S/c1-6-13(4)28-22(30)16-10-9-15(11-17(16)23(28)31)24(32)37-12-18(29)27-21-19(25(33)35-7-2)14(5)20(38-21)26(34)36-8-3/h9-11,13H,6-8,12H2,1-5H3,(H,27,29)