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

Systemtic Name: ethyl 2-[[2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-cyano-1-oxo-3-(4-propoxyphenyl)prop-2-enyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-cyano-3-(4-propoxyphenyl)acryloyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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