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

Systemtic Name: ethyl 4-cyano-5-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)acryloyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C26H29N3O5S MolecularWeight: 495.59056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O5S/c1-5-7-8-9-12-34-21-11-10-18(14-22(21)32-4)13-19(15-27)24(30)29-25-20(16-28)17(3)23(35-25)26(31)33-6-2/h10-11,13-14H,5-9,12H2,1-4H3,(H,29,30)/b19-13+