ethyl 2-[[2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-cyano-3-(4-isopropylphenyl)prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-cyano-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(2-cyano-3-p-cumenyl-acryloyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C(=CC3=CC=C(C=C3)C(C)C)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C(=CC3=CC=C(C=C3)C(C)C)C#N

InChI

InChI=1S/C28H28N2O3S/c1-5-19-7-13-22(14-8-19)24-17-34-27(25(24)28(32)33-6-2)30-26(31)23(16-29)15-20-9-11-21(12-10-20)18(3)4/h7-15,17-18H,5-6H2,1-4H3,(H,30,31)