dipropan-2-yl 3-(5-cyanopentylcarbamoyloxy)-4-methyl-thiophene-2,5-dicarboxylate

Systemtic Name: dipropan-2-yl 3-(5-cyanopentylcarbamoyloxy)-4-methyl-thiophene-2,5-dicarboxylate Openeye Name: diisopropyl 3-(5-cyanopentylcarbamoyloxy)-4-methyl-thiophene-2,5-dicarboxylate CAS Name: 3-[(5-cyanopentylamino)-oxomethoxy]-4-methylthiophene-2,5-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 3-(5-cyanopentylcarbamoyloxy)-4-methylthiophene-2,5-dicarboxylate Traditional Name: 3-(5-cyanopentylcarbamoyloxy)-4-methyl-thiophene-2,5-dicarboxylic acid diisopropyl ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1OC(=O)NCCCCCC#N)C(=O)OC(C)C)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1OC(=O)NCCCCCC#N)C(=O)OC(C)C)C(=O)OC(C)C

InChI

InChI=1S/C20H28N2O6S/c1-12(2)26-18(23)16-14(5)15(17(29-16)19(24)27-13(3)4)28-20(25)22-11-9-7-6-8-10-21/h12-13H,6-9,11H2,1-5H3,(H,22,25)