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

Systemtic Name: diethyl 5-[3-(3-cyano-6-propan-2-yl-pyridin-2-yl)sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-[(3-cyano-6-isopropyl-2-pyridyl)sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[(3-cyano-6-propan-2-yl-2-pyridinyl)thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(3-cyano-6-propan-2-ylpyridin-2-yl)sulfanylpropanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[(3-cyano-6-isopropyl-2-pyridyl)thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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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)C(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5S2/c1-6-30-22(28)18-14(5)19(23(29)31-7-2)33-21(18)26-17(27)10-11-32-20-15(12-24)8-9-16(25-20)13(3)4/h8-9,13H,6-7,10-11H2,1-5H3,(H,26,27)