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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(4-hexoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(4-hexoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(4-hexoxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(4-hexoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-hexoxyphenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OCC

InChI

InChI=1S/C23H26N2O4S/c1-3-5-6-7-13-29-19-10-8-17(9-11-19)15-18(16-24)21(26)25-22-20(12-14-30-22)23(27)28-4-2/h8-12,14-15H,3-7,13H2,1-2H3,(H,25,26)/b18-15+