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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)C(=CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)/C(=C/C3=CC=CC=C3)/C#N

InChI

InChI=1S/C25H22N2O3S/c1-4-30-25(29)22-21(20-11-10-16(2)12-17(20)3)15-31-24(22)27-23(28)19(14-26)13-18-8-6-5-7-9-18/h5-13,15H,4H2,1-3H3,(H,27,28)/b19-13+