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

Systemtic Name: ethyl 2-[[(E)-3-(3-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(3-bromo-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3-bromo-4,5-dimethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3-bromo-4,5-dimethoxy-phenyl)-2-cyano-acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H21BrN2O5S MolecularWeight: 493.37084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=CC(=C(C(=C2)Br)OC)OC)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C/C2=CC(=C(C(=C2)Br)OC)OC)/C#N

InChI

InChI=1S/C21H21BrN2O5S/c1-6-29-21(26)17-11(2)12(3)30-20(17)24-19(25)14(10-23)7-13-8-15(22)18(28-5)16(9-13)27-4/h7-9H,6H2,1-5H3,(H,24,25)/b14-7+