ethyl 5-azanyl-4-cyano-3-(2-methylpropanoyloxymethyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(2-methylpropanoyloxymethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-(2-methylpropanoyloxymethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(2-methyl-1-oxopropoxy)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-(2-methylpropanoyloxymethyl)thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-(isobutyryloxymethyl)thiophene-2-carboxylic acid ethyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C(C)C

InChI

InChI=1S/C13H16N2O4S/c1-4-18-13(17)10-9(6-19-12(16)7(2)3)8(5-14)11(15)20-10/h7H,4,6,15H2,1-3H3