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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(4-pentoxyphenyl)prop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-amoxyphenyl)-2-cyano-acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H28N2O4S MolecularWeight: 488.59792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C28H28N2O4S/c1-3-5-9-16-34-23-14-12-20(13-15-23)17-22(18-29)26(31)30-27-25(28(32)33-4-2)24(19-35-27)21-10-7-6-8-11-21/h6-8,10-15,17,19H,3-5,9,16H2,1-2H3,(H,30,31)/b22-17+