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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(4-propanoylphenoxy)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[1-oxo-2-[4-(1-oxopropyl)phenoxy]ethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(4-propionylphenoxy)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC2=C(SC(=C2C#N)N)C(=O)OCC

InChI

InChI=1S/C20H20N2O6S/c1-3-16(23)12-5-7-13(8-6-12)27-11-17(24)28-10-15-14(9-21)19(22)29-18(15)20(25)26-4-2/h5-8H,3-4,10-11,22H2,1-2H3