diethyl 5-[3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanylpropanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H24ClN3O5S2 MolecularWeight: 558.06886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C26H24ClN3O5S2/c1-4-34-25(32)21-15(3)22(26(33)35-5-2)37-24(21)30-20(31)12-13-36-23-17(14-28)8-11-19(29-23)16-6-9-18(27)10-7-16/h6-11H,4-5,12-13H2,1-3H3,(H,30,31)