ethyl 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H32N2O5S MolecularWeight: 484.60768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC)OC

InChI

InChI=1S/C26H32N2O5S/c1-6-8-9-10-13-33-21-12-11-19(15-22(21)31-5)14-20(16-27)24(29)28-25-23(26(30)32-7-2)17(3)18(4)34-25/h11-12,14-15H,6-10,13H2,1-5H3,(H,28,29)/b20-14+