bis[2-(pyridin-3-ylcarbonylamino)ethyl] thiophene-2,5-dicarboxylate dihydrochloride

Systemtic Name: bis[2-(pyridin-3-ylcarbonylamino)ethyl] thiophene-2,5-dicarboxylate dihydrochloride Openeye Name: bis[2-(pyridine-3-carbonylamino)ethyl] thiophene-2,5-dicarboxylate dihydrochloride CAS Name: thiophene-2,5-dicarboxylic acid bis[2-[[oxo(3-pyridinyl)methyl]amino]ethyl] ester dihydrochloride IUPAC Name: bis[2-(pyridine-3-carbonylamino)ethyl] thiophene-2,5-dicarboxylate dihydrochloride Traditional Name: thiophene-2,5-dicarboxylic acid bis(2-nicotinamidoethyl) ester dihydrochloride Formula: C22H22Cl2N4O6S MolecularWeight: 541.40428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NCCOC(=O)C2=CC=C(S2)C(=O)OCCNC(=O)C3=CN=CC=C3.Cl.Cl

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NCCOC(=O)C2=CC=C(S2)C(=O)OCCNC(=O)C3=CN=CC=C3.Cl.Cl

InChI

InChI=1S/C22H20N4O6S.2ClH/c27-19(15-3-1-7-23-13-15)25-9-11-31-21(29)17-5-6-18(33-17)22(30)32-12-10-26-20(28)16-4-2-8-24-14-16;;/h1-8,13-14H,9-12H2,(H,25,27)(H,26,28);2*1H