ethyl 2-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[(E)-2-cyano-1-oxo-3-(2-propoxyphenyl)prop-2-enyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[(E)-2-cyano-3-(2-propoxyphenyl)acryloyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC

InChI

InChI=1S/C23H24N2O5S/c1-5-11-30-18-10-8-7-9-16(18)12-17(13-24)21(27)25-22-19(23(28)29-6-2)14(3)20(31-22)15(4)26/h7-10,12H,5-6,11H2,1-4H3,(H,25,27)/b17-12+