dimethyl 3-(5-cyanopentylcarbamoyloxy)-4-(furan-3-yl)thiophene-2,5-dicarboxylate

Systemtic Name: dimethyl 3-(5-cyanopentylcarbamoyloxy)-4-(furan-3-yl)thiophene-2,5-dicarboxylate Openeye Name: dimethyl 3-(5-cyanopentylcarbamoyloxy)-4-(3-furyl)thiophene-2,5-dicarboxylate CAS Name: 3-[(5-cyanopentylamino)-oxomethoxy]-4-(3-furanyl)thiophene-2,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(5-cyanopentylcarbamoyloxy)-4-(furan-3-yl)thiophene-2,5-dicarboxylate Traditional Name: 3-(5-cyanopentylcarbamoyloxy)-4-(3-furyl)thiophene-2,5-dicarboxylic acid dimethyl ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(S1)C(=O)OC)OC(=O)NCCCCCC#N)C2=COC=C2

Isomeric SMILES

COC(=O)C1=C(C(=C(S1)C(=O)OC)OC(=O)NCCCCCC#N)C2=COC=C2

InChI

InChI=1S/C19H20N2O7S/c1-25-17(22)15-13(12-7-10-27-11-12)14(16(29-15)18(23)26-2)28-19(24)21-9-6-4-3-5-8-20/h7,10-11H,3-6,9H2,1-2H3,(H,21,24)