ethyl 5-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[3-(4-butoxy-3-ethoxyphenyl)-1-oxopropyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(4-butoxy-3-ethoxyphenyl)propanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[3-(4-butoxy-3-ethoxy-phenyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N)OCC

InChI

InChI=1S/C24H30N2O5S/c1-5-8-13-31-19-11-9-17(14-20(19)29-6-2)10-12-21(27)26-23-18(15-25)16(4)22(32-23)24(28)30-7-3/h9,11,14H,5-8,10,12-13H2,1-4H3,(H,26,27)