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

Systemtic Name: dibutyl 3-(5-cyanopentylcarbamoyloxy)-4-methyl-thiophene-2,5-dicarboxylate Openeye Name: dibutyl 3-(5-cyanopentylcarbamoyloxy)-4-methyl-thiophene-2,5-dicarboxylate CAS Name: 3-[(5-cyanopentylamino)-oxomethoxy]-4-methylthiophene-2,5-dicarboxylic acid dibutyl ester IUPAC Name: dibutyl 3-(5-cyanopentylcarbamoyloxy)-4-methylthiophene-2,5-dicarboxylate Traditional Name: 3-(5-cyanopentylcarbamoyloxy)-4-methyl-thiophene-2,5-dicarboxylic acid dibutyl ester Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C(=C(S1)C(=O)OCCCC)OC(=O)NCCCCCC#N)C

Isomeric SMILES

CCCCOC(=O)C1=C(C(=C(S1)C(=O)OCCCC)OC(=O)NCCCCCC#N)C

InChI

InChI=1S/C22H32N2O6S/c1-4-6-14-28-20(25)18-16(3)17(19(31-18)21(26)29-15-7-5-2)30-22(27)24-13-11-9-8-10-12-23/h4-11,13-15H2,1-3H3,(H,24,27)