ethyl 5-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[3-(2-bromo-4,5-dimethoxyphenyl)-1-oxopropyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H21BrN2O5S MolecularWeight: 481.36014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCC2=CC(=C(C=C2Br)OC)OC)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCC2=CC(=C(C=C2Br)OC)OC)C#N)C

InChI

InChI=1S/C20H21BrN2O5S/c1-5-28-20(25)18-11(2)13(10-22)19(29-18)23-17(24)7-6-12-8-15(26-3)16(27-4)9-14(12)21/h8-9H,5-7H2,1-4H3,(H,23,24)