methyl 2-[[(E)-3-(4-butoxy-3-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(4-butoxy-3-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(4-butoxy-3-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(4-butoxy-3-ethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-butoxy-3-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-butoxy-3-ethoxy-phenyl)-2-cyano-acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OC)OCC

InChI

InChI=1S/C25H30N2O5S/c1-6-8-11-32-20-10-9-17(13-21(20)31-7-2)12-18(15-26)23(28)27-24-19(25(29)30-5)14-22(33-24)16(3)4/h9-10,12-14,16H,6-8,11H2,1-5H3,(H,27,28)/b18-12+