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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[3-(2,5-dimethylphenoxy)propanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[3-(2,5-dimethylphenoxy)propanoyloxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[3-(2,5-dimethylphenoxy)-1-oxopropoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[3-(2,5-dimethylphenoxy)propanoyloxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[3-(2,5-dimethylphenoxy)propanoyloxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-4-25-20(24)18-15(14(10-21)19(22)28-18)11-27-17(23)7-8-26-16-9-12(2)5-6-13(16)3/h5-6,9H,4,7-8,11,22H2,1-3H3