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

Systemtic Name: ethyl 2-[[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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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)CC)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S/c1-4-7-12-29-18-10-8-16(9-11-18)13-17(15-24)21(26)25-22-20(23(27)28-6-3)14-19(5-2)30-22/h8-11,13-14H,4-7,12H2,1-3H3,(H,25,26)