methyl 2-[[(E)-3-(4-butoxy-3-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(4-butoxy-3-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(4-butoxy-3-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-butoxy-3-ethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-butoxy-3-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-butoxy-3-ethoxy-phenyl)-2-cyano-acryloyl]amino]-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5S/c1-5-8-12-32-21-11-10-17(14-22(21)31-7-3)13-18(16-26)23(28)27-24-20(25(29)30-4)15-19(33-24)9-6-2/h10-11,13-15H,5-9,12H2,1-4H3,(H,27,28)/b18-13+