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

Systemtic Name: ethyl 4-cyano-5-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[(E)-3-(4-hexoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)acryloyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5S/c1-5-7-8-9-14-32-20-12-10-18(15-21(20)30-4)11-13-22(28)27-24-19(16-26)17(3)23(33-24)25(29)31-6-2/h10-13,15H,5-9,14H2,1-4H3,(H,27,28)/b13-11+