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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(2-propan-2-ylphenoxy)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(2-isopropylphenoxy)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[1-oxo-2-(2-propan-2-ylphenoxy)ethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(2-propan-2-ylphenoxy)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(2-isopropylphenoxy)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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