ethyl 2-[[(E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-o-phenetyl-acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC

InChI

InChI=1S/C21H22N2O4S/c1-5-26-17-10-8-7-9-15(17)11-16(12-22)19(24)23-20-18(21(25)27-6-2)13(3)14(4)28-20/h7-11H,5-6H2,1-4H3,(H,23,24)/b16-11+