ethyl 2-[[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O5S/c1-5-7-12-31-19-10-8-17(9-11-19)13-18(14-25)22(28)26-23-20(24(29)30-6-2)15(3)21(32-23)16(4)27/h8-11,13H,5-7,12H2,1-4H3,(H,26,28)