methyl 2-[[(E)-3-(4-acetyloxy-3-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(4-acetyloxy-3-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(4-acetoxy-3-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-acetyloxy-3-ethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-acetyloxy-3-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-acetoxy-3-ethoxy-phenyl)-2-cyano-acryloyl]amino]-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C)OCC)C#N)C(=O)OC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)/C(=C/C2=CC(=C(C=C2)OC(=O)C)OCC)/C#N)C(=O)OC

InChI

InChI=1S/C23H24N2O6S/c1-5-7-17-12-18(23(28)29-4)22(32-17)25-21(27)16(13-24)10-15-8-9-19(31-14(3)26)20(11-15)30-6-2/h8-12H,5-7H2,1-4H3,(H,25,27)/b16-10+