ethyl 5-azanyl-3-[2-(2-tert-butylphenoxy)ethanoyloxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[2-(2-tert-butylphenoxy)ethanoyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[2-(2-tert-butylphenoxy)acetyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[2-(2-tert-butylphenoxy)-1-oxoethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[2-(2-tert-butylphenoxy)acetyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[2-(2-tert-butylphenoxy)acetyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)COC2=CC=CC=C2C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)COC2=CC=CC=C2C(C)(C)C

InChI

InChI=1S/C21H24N2O5S/c1-5-26-20(25)18-14(13(10-22)19(23)29-18)11-28-17(24)12-27-16-9-7-6-8-15(16)21(2,3)4/h6-9H,5,11-12,23H2,1-4H3