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

Systemtic Name: ethyl 5-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC2=C(C=C(C=C2)Br)C(C)(C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)COC2=C(C=C(C=C2)Br)C(C)(C)C)C#N)C

InChI

InChI=1S/C21H23BrN2O4S/c1-6-27-20(26)18-12(2)14(10-23)19(29-18)24-17(25)11-28-16-8-7-13(22)9-15(16)21(3,4)5/h7-9H,6,11H2,1-5H3,(H,24,25)