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

Systemtic Name: ethyl 2-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4-(4-ethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H30N2O5S MolecularWeight: 518.6239

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)OCC)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)OCC)C(=O)OCC

InChI

InChI=1S/C29H30N2O5S/c1-4-7-16-36-24-12-8-20(9-13-24)17-22(18-30)27(32)31-28-26(29(33)35-6-3)25(19-37-28)21-10-14-23(15-11-21)34-5-2/h8-15,17,19H,4-7,16H2,1-3H3,(H,31,32)/b22-17+