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

Systemtic Name: ethyl 5-[2-(2-tert-butyl-4-methyl-phenoxy)ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(2-tert-butyl-4-methyl-phenoxy)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(2-tert-butyl-4-methylphenoxy)-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(2-tert-butyl-4-methyl-phenoxy)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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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)C(C)(C)C)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-7-27-21(26)19-14(3)15(11-23)20(29-19)24-18(25)12-28-17-9-8-13(2)10-16(17)22(4,5)6/h8-10H,7,12H2,1-6H3,(H,24,25)