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

Systemtic Name: ethyl 2-[[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H27ClN2O4S MolecularWeight: 523.04298

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN2O4S/c1-4-6-15-35-23-13-7-19(8-14-23)16-21(17-30)26(32)31-27-25(28(33)34-5-2)24(18(3)36-27)20-9-11-22(29)12-10-20/h7-14,16H,4-6,15H2,1-3H3,(H,31,32)