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

Systemtic Name: ethyl 5-[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(4-bromo-2-isopropyl-5-methyl-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)C)Br)C(C)C)C#N)C

Isomeric SMILES

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

InChI

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