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

Systemtic Name: ethyl 2-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C28H28N2O5S MolecularWeight: 504.59732

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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)OC)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)OC)C(=O)OCC

InChI

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