methyl 2-[[2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-cyano-1-oxo-3-(4-propoxyphenyl)prop-2-enyl]amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-cyano-3-(4-propoxyphenyl)acryloyl]amino]-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)OCC)C(=O)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)OCC)C(=O)OC

InChI

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