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

Systemtic Name: ethyl 2-[(2-cyano-3-phenyl-prop-2-enoyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-cyano-3-phenyl-prop-2-enoyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[(2-cyano-1-oxo-3-phenylprop-2-enyl)amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-cyano-3-phenylprop-2-enoyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(2-cyano-3-phenyl-acryloyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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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=CC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O3S/c1-3-17-10-12-19(13-11-17)21-16-31-24(22(21)25(29)30-4-2)27-23(28)20(15-26)14-18-8-6-5-7-9-18/h5-14,16H,3-4H2,1-2H3,(H,27,28)