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

Systemtic Name: diethyl 5-[3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylpropanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C27H27N3O5S2 MolecularWeight: 537.65038

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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)C)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)C)C#N

InChI

InChI=1S/C27H27N3O5S2/c1-5-34-26(32)22-17(4)23(27(33)35-6-2)37-25(22)30-21(31)13-14-36-24-19(15-28)11-12-20(29-24)18-9-7-16(3)8-10-18/h7-12H,5-6,13-14H2,1-4H3,(H,30,31)