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

Systemtic Name: ethyl 2-[[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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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)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C27H26N2O4S/c1-3-5-15-33-22-13-11-19(12-14-22)16-21(18-28)25(30)29-26-23(27(31)32-4-2)17-24(34-26)20-9-7-6-8-10-20/h6-14,16-17H,3-5,15H2,1-2H3,(H,29,30)