ethyl 5-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(2-bromo-4-ethylphenoxy)butanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H23BrN2O4S MolecularWeight: 479.38732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N)Br

InChI

InChI=1S/C21H23BrN2O4S/c1-4-14-8-9-17(16(22)11-14)28-10-6-7-18(25)24-20-15(12-23)13(3)19(29-20)21(26)27-5-2/h8-9,11H,4-7,10H2,1-3H3,(H,24,25)