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

Systemtic Name: ethyl 5-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O4S/c1-4-12-6-7-15(14(20)8-12)26-10-16(23)22-18-13(9-21)11(3)17(27-18)19(24)25-5-2/h6-8H,4-5,10H2,1-3H3,(H,22,23)