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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(2-propoxyphenyl)prop-2-enyl]amino]-4-(4-ethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(2-propoxyphenyl)acryloyl]amino]-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)OCC)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)OCC)C(=O)OCC

InChI

InChI=1S/C28H28N2O5S/c1-4-15-35-24-10-8-7-9-20(24)16-21(17-29)26(31)30-27-25(28(32)34-6-3)23(18-36-27)19-11-13-22(14-12-19)33-5-2/h7-14,16,18H,4-6,15H2,1-3H3,(H,30,31)/b21-16+