ethyl 5-azanyl-4-cyano-3-[3-(4-ethanoylphenoxy)propanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[3-(4-ethanoylphenoxy)propanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 3-[3-(4-acetylphenoxy)propanoyloxymethyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 3-[[3-(4-acetylphenoxy)-1-oxopropoxy]methyl]-5-amino-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-acetylphenoxy)propanoyloxymethyl]-5-amino-4-cyanothiophene-2-carboxylate Traditional Name: 3-[3-(4-acetylphenoxy)propanoyloxymethyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCOC2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCOC2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C20H20N2O6S/c1-3-26-20(25)18-16(15(10-21)19(22)29-18)11-28-17(24)8-9-27-14-6-4-13(5-7-14)12(2)23/h4-7H,3,8-9,11,22H2,1-2H3