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

Systemtic Name: ethyl 5-[[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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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)OCC)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4S/c1-4-6-11-30-18-9-7-16(8-10-18)12-17(13-24)21(27)26-22-19(14-25)15(3)20(31-22)23(28)29-5-2/h7-10,12H,4-6,11H2,1-3H3,(H,26,27)