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

Systemtic Name: ethyl 5-azanyl-3-(butanoyloxymethyl)-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-(butanoyloxymethyl)-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-(1-oxobutoxymethyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-(butanoyloxymethyl)-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-(butyryloxymethyl)-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC1=C(SC(=C1C#N)N)C(=O)OCC

Isomeric SMILES

CCCC(=O)OCC1=C(SC(=C1C#N)N)C(=O)OCC

InChI

InChI=1S/C13H16N2O4S/c1-3-5-10(16)19-7-9-8(6-14)12(15)20-11(9)13(17)18-4-2/h3-5,7,15H2,1-2H3