ethyl 5-[2-(4-tert-butylphenoxy)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(4-tert-butylphenoxy)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[2-(4-tert-butylphenoxy)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(4-tert-butylphenoxy)-1-oxopropyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-tert-butylphenoxy)propanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[2-(4-tert-butylphenoxy)propanoylamino]-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)C(C)OC2=CC=C(C=C2)C(C)(C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)OC2=CC=C(C=C2)C(C)(C)C)C#N)C

InChI

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